1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide

C20H30N2O3 — CID 51088386

IUPAC1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)C1CCN(C)C(=O)C1
InChIInChI=1S/C20H30N2O3/c1-14(2)25-18-9-7-16(8-10-18)6-5-15(3)21-20(24)17-11-12-22(4)19(23)13-17/h7-10,14-15,17H,5-6,11-13H2,1-4H3,(H,21,24)
InChIKeyUYJPAEMMFZCAQO-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.78
Rot. Bonds7

About 1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide

1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide (PubChem CID 51088386) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide
PubChem CID51088386
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)C1CCN(C)C(=O)C1
InChIInChI=1S/C20H30N2O3/c1-14(2)25-18-9-7-16(8-10-18)6-5-15(3)21-20(24)17-11-12-22(4)19(23)13-17/h7-10,14-15,17H,5-6,11-13H2,1-4H3,(H,21,24)
InChIKeyUYJPAEMMFZCAQO-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

(4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311981
N-[4-(furan-2-yl)butan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 75414137
1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 56797928
(4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide
CID 95337098
(3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 95147392
4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 110901487
(4S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311059
N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119720999
2-(methylamino)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 119720978
1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 94650228
(2R)-2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 97215052
N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119288096

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide (CID 51088386) is 1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide is CC(CCc1ccc(OC(C)C)cc1)NC(=O)C1CCN(C)C(=O)C1.
What is the InChIKey of 1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide?
The InChIKey is UYJPAEMMFZCAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(2)25-18-9-7-16(8-10-18)6-5-15(3)21-20(24)17-11-12-22(4)19(23)13-17/h7-10,14-15,17H,5-6,11-13H2,1-4H3,(H,21,24).
What are the key properties of 1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide?
1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 51088386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).