(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide

C22H34N2O3 — CID 52508214

IUPAC(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide
SMILESCOc1ccc(CC[C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1
InChIInChI=1S/C22H34N2O3/c1-16(8-9-17-10-12-19(27-5)13-11-17)23-20(25)18-7-6-14-24(15-18)21(26)22(2,3)4/h10-13,16,18H,6-9,14-15H2,1-5H3,(H,23,25)/t16-,18-/m1/s1
InChIKeyCGQLPOFXPYPKFF-SJLPKXTDSA-N
MW374.53 g/mol
LogP3.42
Rot. Bonds6

About (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide

(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide (PubChem CID 52508214) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide
PubChem CID52508214
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide
SMILESCOc1ccc(CC[C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1
InChIInChI=1S/C22H34N2O3/c1-16(8-9-17-10-12-19(27-5)13-11-17)23-20(25)18-7-6-14-24(15-18)21(26)22(2,3)4/h10-13,16,18H,6-9,14-15H2,1-5H3,(H,23,25)/t16-,18-/m1/s1
InChIKeyCGQLPOFXPYPKFF-SJLPKXTDSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 94820613
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52508766
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 47989754
N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119288096
N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47987007
N-(2,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47986267
1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 47986994
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 60607238
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 94798800
1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 55741772

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide (CID 52508214) is (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide is COc1ccc(CC[C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1.
What is the InChIKey of (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide?
The InChIKey is CGQLPOFXPYPKFF-SJLPKXTDSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-16(8-9-17-10-12-19(27-5)13-11-17)23-20(25)18-7-6-14-24(15-18)21(26)22(2,3)4/h10-13,16,18H,6-9,14-15H2,1-5H3,(H,23,25)/t16-,18-/m1/s1.
What are the key properties of (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide?
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 52508214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).