N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide

C23H28N2O3 — CID 49352371

IUPACN-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N3CCCC(C(=O)NC4CC4)C3)ccc2c1
InChIInChI=1S/C23H28N2O3/c1-15(16-5-6-18-13-21(28-2)10-7-17(18)12-16)23(27)25-11-3-4-19(14-25)22(26)24-20-8-9-20/h5-7,10,12-13,15,19-20H,3-4,8-9,11,14H2,1-2H3,(H,24,26)/t15-,19?/m0/s1
InChIKeyQSGLMIOBVZALDS-FUKCDUGKSA-N
MW380.49 g/mol
LogP3.47
Rot. Bonds5

About N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide

N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 49352371) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide
PubChem CID49352371
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N3CCCC(C(=O)NC4CC4)C3)ccc2c1
InChIInChI=1S/C23H28N2O3/c1-15(16-5-6-18-13-21(28-2)10-7-17(18)12-16)23(27)25-11-3-4-19(14-25)22(26)24-20-8-9-20/h5-7,10,12-13,15,19-20H,3-4,8-9,11,14H2,1-2H3,(H,24,26)/t15-,19?/m0/s1
InChIKeyQSGLMIOBVZALDS-FUKCDUGKSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119378452
(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18292919
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119410402
N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 119479891
(2R)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 25383842
1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119373948
(2S)-N-(4-methoxycyclohexyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 163313623
1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55940211
1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 21431522
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066391
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide (CID 49352371) is N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide is COc1ccc2cc([C@H](C)C(=O)N3CCCC(C(=O)NC4CC4)C3)ccc2c1.
What is the InChIKey of N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is QSGLMIOBVZALDS-FUKCDUGKSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-15(16-5-6-18-13-21(28-2)10-7-17(18)12-16)23(27)25-11-3-4-19(14-25)22(26)24-20-8-9-20/h5-7,10,12-13,15,19-20H,3-4,8-9,11,14H2,1-2H3,(H,24,26)/t15-,19?/m0/s1.
What are the key properties of N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide?
N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 49352371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).