1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C26H29N3O3 — CID 55940211

IUPAC1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N3CCC(C(=O)Nc4cc(C)ccn4)CC3)ccc2c1
InChIInChI=1S/C26H29N3O3/c1-17-8-11-27-24(14-17)28-25(30)19-9-12-29(13-10-19)26(31)18(2)20-4-5-22-16-23(32-3)7-6-21(22)15-20/h4-8,11,14-16,18-19H,9-10,12-13H2,1-3H3,(H,27,28,30)/t18-/m0/s1
InChIKeyNZDJGUKDPZVRKX-SFHVURJKSA-N
MW431.54 g/mol
LogP4.53
Rot. Bonds5

About 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55940211) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55940211
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N3CCC(C(=O)Nc4cc(C)ccn4)CC3)ccc2c1
InChIInChI=1S/C26H29N3O3/c1-17-8-11-27-24(14-17)28-25(30)19-9-12-29(13-10-19)26(31)18(2)20-4-5-22-16-23(32-3)7-6-21(22)15-20/h4-8,11,14-16,18-19H,9-10,12-13H2,1-3H3,(H,27,28,30)/t18-/m0/s1
InChIKeyNZDJGUKDPZVRKX-SFHVURJKSA-N
XLogP4.53
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide
CID 41411139
1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119373948
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119645365
1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930865
1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931242
(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18292919
N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide
CID 49352371
1-[2-[4-(difluoromethoxy)phenyl]acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931889
1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931766
1-(3-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119378452
1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55992027
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55940211) is 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is COc1ccc2cc([C@H](C)C(=O)N3CCC(C(=O)Nc4cc(C)ccn4)CC3)ccc2c1.
What is the InChIKey of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is NZDJGUKDPZVRKX-SFHVURJKSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-17-8-11-27-24(14-17)28-25(30)19-9-12-29(13-10-19)26(31)18(2)20-4-5-22-16-23(32-3)7-6-21(22)15-20/h4-8,11,14-16,18-19H,9-10,12-13H2,1-3H3,(H,27,28,30)/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55940211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).