N-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide

C27H35N3O5 — CID 42500665

IUPACN-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide
SMILESCOc1cccc(C[C@H](C2CCN(C(=O)c3ccc(OC)nc3OC)CC2)N(C)C(=O)C2CC2)c1
InChIInChI=1S/C27H35N3O5/c1-29(26(31)20-8-9-20)23(17-18-6-5-7-21(16-18)33-2)19-12-14-30(15-13-19)27(32)22-10-11-24(34-3)28-25(22)35-4/h5-7,10-11,16,19-20,23H,8-9,12-15,17H2,1-4H3/t23-/m1/s1
InChIKeyGXGWOUMLXJCXCM-HSZRJFAPSA-N
MW481.59 g/mol
LogP3.44
Rot. Bonds9

About N-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide

N-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide (PubChem CID 42500665) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide
PubChem CID42500665
Molecular FormulaC27H35N3O5
Molecular Weight481.59 g/mol
Exact Mass481.26
IUPAC NameN-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide
SMILESCOc1cccc(C[C@H](C2CCN(C(=O)c3ccc(OC)nc3OC)CC2)N(C)C(=O)C2CC2)c1
InChIInChI=1S/C27H35N3O5/c1-29(26(31)20-8-9-20)23(17-18-6-5-7-21(16-18)33-2)19-12-14-30(15-13-19)27(32)22-10-11-24(34-3)28-25(22)35-4/h5-7,10-11,16,19-20,23H,8-9,12-15,17H2,1-4H3/t23-/m1/s1
InChIKeyGXGWOUMLXJCXCM-HSZRJFAPSA-N
XLogP3.44
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 45225107
N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 45225227
N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 26281727
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42441873
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 25365472
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]ethyl]-N-methylpyridine-3-carboxamide
CID 26343898
N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 26348293
N-[1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methyl-3-methylsulfanylpropanamide
CID 45216421
N-[2-(3-methoxyphenyl)-1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 45190136
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 26348800
N-[1-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbutanamide
CID 45250740
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide (CID 42500665) is N-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide is COc1cccc(C[C@H](C2CCN(C(=O)c3ccc(OC)nc3OC)CC2)N(C)C(=O)C2CC2)c1.
What is the InChIKey of N-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide?
The InChIKey is GXGWOUMLXJCXCM-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H35N3O5/c1-29(26(31)20-8-9-20)23(17-18-6-5-7-21(16-18)33-2)19-12-14-30(15-13-19)27(32)22-10-11-24(34-3)28-25(22)35-4/h5-7,10-11,16,19-20,23H,8-9,12-15,17H2,1-4H3/t23-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide?
N-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide has a molecular weight of 481.59 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 42500665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).