N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide

C16H22ClN3O3 — CID 119820003

IUPACN-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)CCNCC1
InChIInChI=1S/C16H22ClN3O3/c1-23-16(5-7-19-8-6-16)15(22)20-13(10-14(18)21)11-3-2-4-12(17)9-11/h2-4,9,13,19H,5-8,10H2,1H3,(H2,18,21)(H,20,22)/t13-/m1/s1
InChIKeyQUFPIUUYIMFEEL-CYBMUJFWSA-N
MW339.82 g/mol
LogP1.14
Rot. Bonds6

About N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide

N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119820003) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119820003
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)CCNCC1
InChIInChI=1S/C16H22ClN3O3/c1-23-16(5-7-19-8-6-16)15(22)20-13(10-14(18)21)11-3-2-4-12(17)9-11/h2-4,9,13,19H,5-8,10H2,1H3,(H2,18,21)(H,20,22)/t13-/m1/s1
InChIKeyQUFPIUUYIMFEEL-CYBMUJFWSA-N
XLogP1.14
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-(aminomethyl)oxane-4-carboxamide
CID 120937167
4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 119721118
N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979821
N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119683871
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride
CID 119820004
(2S)-2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3,3-dimethylbutanamide;hydrochloride
CID 119819992
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
(3R)-3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-(3-chlorophenyl)propanamide
CID 119819997
ethyl 3-(3-chlorophenyl)-3-(4-fluoropiperidin-4-yl)propanoate
CID 176947589
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119831064
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide (CID 119820003) is N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)CCNCC1.
What is the InChIKey of N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is QUFPIUUYIMFEEL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-23-16(5-7-19-8-6-16)15(22)20-13(10-14(18)21)11-3-2-4-12(17)9-11/h2-4,9,13,19H,5-8,10H2,1H3,(H2,18,21)(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide?
N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119820003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).