N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide

C21H27N3O3 — CID 137343816

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)N2CCC(Cc3ccc(=O)[nH]c3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-15(18-4-6-19(27-2)7-5-18)23-21(26)24-11-9-16(10-12-24)13-17-3-8-20(25)22-14-17/h3-8,14-16H,9-13H2,1-2H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKeyRDKOQWAXGXCISU-OAHLLOKOSA-N
MW369.47 g/mol
LogP3.11
Rot. Bonds5

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide

N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 137343816) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
PubChem CID137343816
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)N2CCC(Cc3ccc(=O)[nH]c3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-15(18-4-6-19(27-2)7-5-18)23-21(26)24-11-9-16(10-12-24)13-17-3-8-20(25)22-14-17/h3-8,14-16H,9-13H2,1-2H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKeyRDKOQWAXGXCISU-OAHLLOKOSA-N
XLogP3.11
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 66196818
4-(hydroxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896098
4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 95588981
N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 138382404
4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 46215547
4-[(4-tert-butylphenyl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71958612
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 106215532
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
tert-butyl 4-[[1-(4-methoxyphenyl)ethylamino]methyl]piperidine-1-carboxylate
CID 113250404
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443595

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide (CID 137343816) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide is COc1ccc([C@@H](C)NC(=O)N2CCC(Cc3ccc(=O)[nH]c3)CC2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is RDKOQWAXGXCISU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(18-4-6-19(27-2)7-5-18)23-21(26)24-11-9-16(10-12-24)13-17-3-8-20(25)22-14-17/h3-8,14-16H,9-13H2,1-2H3,(H,22,25)(H,23,26)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 137343816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).