N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide

C27H38N4O2 — CID 11236296

IUPACN-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide
SMILESCOc1ccccc1N1CCN(C[C@@H](Cc2ccncc2)NC(=O)C2(C)CCCCC2)CC1
InChIInChI=1S/C27H38N4O2/c1-27(12-6-3-7-13-27)26(32)29-23(20-22-10-14-28-15-11-22)21-30-16-18-31(19-17-30)24-8-4-5-9-25(24)33-2/h4-5,8-11,14-15,23H,3,6-7,12-13,16-21H2,1-2H3,(H,29,32)/t23-/m1/s1
InChIKeyFPELDTLLVVQIFW-HSZRJFAPSA-N
MW450.63 g/mol
LogP3.91
Rot. Bonds8

About N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide

N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide (PubChem CID 11236296) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide
PubChem CID11236296
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC NameN-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide
SMILESCOc1ccccc1N1CCN(C[C@@H](Cc2ccncc2)NC(=O)C2(C)CCCCC2)CC1
InChIInChI=1S/C27H38N4O2/c1-27(12-6-3-7-13-27)26(32)29-23(20-22-10-14-28-15-11-22)21-30-16-18-31(19-17-30)24-8-4-5-9-25(24)33-2/h4-5,8-11,14-15,23H,3,6-7,12-13,16-21H2,1-2H3,(H,29,32)/t23-/m1/s1
InChIKeyFPELDTLLVVQIFW-HSZRJFAPSA-N
XLogP3.91
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026014
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid
CID 19433569
(2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844632
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 35798356
1-(1-ethynylcyclohexyl)oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3039523
(2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 70121693
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
CID 91175369
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine
CID 62418788

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide (CID 11236296) is N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide is COc1ccccc1N1CCN(C[C@@H](Cc2ccncc2)NC(=O)C2(C)CCCCC2)CC1.
What is the InChIKey of N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is FPELDTLLVVQIFW-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-27(12-6-3-7-13-27)26(32)29-23(20-22-10-14-28-15-11-22)21-30-16-18-31(19-17-30)24-8-4-5-9-25(24)33-2/h4-5,8-11,14-15,23H,3,6-7,12-13,16-21H2,1-2H3,(H,29,32)/t23-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide?
N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 450.63 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 11236296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).