(4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide

C20H30N2O3 — CID 95337098

IUPAC(4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide
SMILESCC(C)CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(C)C(=O)C2)cc1
InChIInChI=1S/C20H30N2O3/c1-14(2)10-12-25-18-7-5-16(6-8-18)15(3)21-20(24)17-9-11-22(4)19(23)13-17/h5-8,14-15,17H,9-13H2,1-4H3,(H,21,24)/t15-,17-/m1/s1
InChIKeyQNBPVPXHOQTURA-NVXWUHKLSA-N
MW346.47 g/mol
LogP3.16
Rot. Bonds7

About (4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide

(4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide (PubChem CID 95337098) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide
PubChem CID95337098
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide
SMILESCC(C)CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(C)C(=O)C2)cc1
InChIInChI=1S/C20H30N2O3/c1-14(2)10-12-25-18-7-5-16(6-8-18)15(3)21-20(24)17-9-11-22(4)19(23)13-17/h5-8,14-15,17H,9-13H2,1-4H3,(H,21,24)/t15-,17-/m1/s1
InChIKeyQNBPVPXHOQTURA-NVXWUHKLSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311059
1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide
CID 51088386
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]acetamide
CID 119311263
(2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide
CID 119311259
1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 75462150
(4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311981
1-(3-methylbutyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113185589
4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid
CID 119201075
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46921272
(3R)-3-(4-tert-butylphenyl)-3-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 99645041
N-[1-(4-butoxyphenyl)ethyl]-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 4095917

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide?
The IUPAC name of (4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide (CID 95337098) is (4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for (4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide?
The canonical SMILES for (4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide is CC(C)CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(C)C(=O)C2)cc1.
What is the InChIKey of (4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide?
The InChIKey is QNBPVPXHOQTURA-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(2)10-12-25-18-7-5-16(6-8-18)15(3)21-20(24)17-9-11-22(4)19(23)13-17/h5-8,14-15,17H,9-13H2,1-4H3,(H,21,24)/t15-,17-/m1/s1.
What are the key properties of (4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide?
(4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 95337098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).