1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide

C20H24N4O2 — CID 95713073

IUPAC1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1
InChIInChI=1S/C20H24N4O2/c1-26-17-7-5-15(6-8-17)20(9-10-20)18(25)23-16-4-2-13-24(14-16)19-21-11-3-12-22-19/h3,5-8,11-12,16H,2,4,9-10,13-14H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyXNCVZTIUXNDNSM-MRXNPFEDSA-N
MW352.44 g/mol
LogP2.30
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide

1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 95713073) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide
PubChem CID95713073
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1
InChIInChI=1S/C20H24N4O2/c1-26-17-7-5-15(6-8-17)20(9-10-20)18(25)23-16-4-2-13-24(14-16)19-21-11-3-12-22-19/h3,5-8,11-12,16H,2,4,9-10,13-14H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyXNCVZTIUXNDNSM-MRXNPFEDSA-N
XLogP2.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide
CID 70744157
N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide
CID 167857379
2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100658
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
3-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)oxolane-3-carboxamide
CID 64892126
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 7435428
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52508766
1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 136525855

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide (CID 95713073) is 1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is XNCVZTIUXNDNSM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-26-17-7-5-15(6-8-17)20(9-10-20)18(25)23-16-4-2-13-24(14-16)19-21-11-3-12-22-19/h3,5-8,11-12,16H,2,4,9-10,13-14H2,1H3,(H,23,25)/t16-/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide?
1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95713073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).