(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide

C45H62N8O3 — CID 157455289

IUPAC(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide
SMILESCOc1ccccc1N1CCN(C[C@@H](Cc2ccncc2)NC(=O)C2CCCCC2)CC1.COc1ccccc1N1CCN(C[C@H](N)Cc2ccncc2)CC1
InChIInChI=1S/C26H36N4O2.C19H26N4O/c1-32-25-10-6-5-9-24(25)30-17-15-29(16-18-30)20-23(19-21-11-13-27-14-12-21)28-26(31)22-7-3-2-4-8-22;1-24-19-5-3-2-4-18(19)23-12-10-22(11-13-23)15-17(20)14-16-6-8-21-9-7-16/h5-6,9-14,22-23H,2-4,7-8,15-20H2,1H3,(H,28,31);2-9,17H,10-15,20H2,1H3/t23-;17-/m11/s1
InChIKeyBTGYTJJLBFTQFX-AGRWFITGSA-N
MW763.04 g/mol
LogP5.30
Rot. Bonds14

About (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide

(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide (PubChem CID 157455289) has the molecular formula C45H62N8O3 and a molecular weight of 763.04 g/mol. Its IUPAC name is (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound Name(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide
PubChem CID157455289
Molecular FormulaC45H62N8O3
Molecular Weight763.04 g/mol
Exact Mass762.49
IUPAC Name(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide
SMILESCOc1ccccc1N1CCN(C[C@@H](Cc2ccncc2)NC(=O)C2CCCCC2)CC1.COc1ccccc1N1CCN(C[C@H](N)Cc2ccncc2)CC1
InChIInChI=1S/C26H36N4O2.C19H26N4O/c1-32-25-10-6-5-9-24(25)30-17-15-29(16-18-30)20-23(19-21-11-13-27-14-12-21)28-26(31)22-7-3-2-4-8-22;1-24-19-5-3-2-4-18(19)23-12-10-22(11-13-23)15-17(20)14-16-6-8-21-9-7-16/h5-6,9-14,22-23H,2-4,7-8,15-20H2,1H3,(H,28,31);2-9,17H,10-15,20H2,1H3/t23-;17-/m11/s1
InChIKeyBTGYTJJLBFTQFX-AGRWFITGSA-N
XLogP5.30
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.04
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide with MolForge

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Related Compounds

N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide
CID 11236296
(2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 70121693
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105
(2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 18726870
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 609668
1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 15524030
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid
CID 19433569
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 14208395
N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 74440930
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026014

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide (CID 157455289) is (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide is COc1ccccc1N1CCN(C[C@@H](Cc2ccncc2)NC(=O)C2CCCCC2)CC1.COc1ccccc1N1CCN(C[C@H](N)Cc2ccncc2)CC1.
What is the InChIKey of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide?
The InChIKey is BTGYTJJLBFTQFX-AGRWFITGSA-N. The full InChI is InChI=1S/C26H36N4O2.C19H26N4O/c1-32-25-10-6-5-9-24(25)30-17-15-29(16-18-30)20-23(19-21-11-13-27-14-12-21)28-26(31)22-7-3-2-4-8-22;1-24-19-5-3-2-4-18(19)23-12-10-22(11-13-23)15-17(20)14-16-6-8-21-9-7-16/h5-6,9-14,22-23H,2-4,7-8,15-20H2,1H3,(H,28,31);2-9,17H,10-15,20H2,1H3/t23-;17-/m11/s1.
What are the key properties of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide?
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide has a molecular weight of 763.04 g/mol, XLogP of 5.30, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 157455289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).