(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide

C20H31N3O2 — CID 92891172

IUPAC(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC[C@H](C)NC(=O)c1cccc([C@@H]2CCCN(C(=O)NC(C)C)C2)c1
InChIInChI=1S/C20H31N3O2/c1-5-15(4)22-19(24)17-9-6-8-16(12-17)18-10-7-11-23(13-18)20(25)21-14(2)3/h6,8-9,12,14-15,18H,5,7,10-11,13H2,1-4H3,(H,21,25)(H,22,24)/t15-,18+/m0/s1
InChIKeyQDUYUXKPERDOJU-MAUKXSAKSA-N
MW345.49 g/mol
LogP3.51
Rot. Bonds5

About (3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide

(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 92891172) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID92891172
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC[C@H](C)NC(=O)c1cccc([C@@H]2CCCN(C(=O)NC(C)C)C2)c1
InChIInChI=1S/C20H31N3O2/c1-5-15(4)22-19(24)17-9-6-8-16(12-17)18-10-7-11-23(13-18)20(25)21-14(2)3/h6,8-9,12,14-15,18H,5,7,10-11,13H2,1-4H3,(H,21,25)(H,22,24)/t15-,18+/m0/s1
InChIKeyQDUYUXKPERDOJU-MAUKXSAKSA-N
XLogP3.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891338
3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789048
3-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789050
3-[3-(azepane-1-carbonyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334254
(3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891212
(3S)-3-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92872947
3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334247
(3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891138
3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789013
(3R)-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92872954
(3S)-3-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891197
(3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891474

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 92891172) is (3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide is CC[C@H](C)NC(=O)c1cccc([C@@H]2CCCN(C(=O)NC(C)C)C2)c1.
What is the InChIKey of (3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is QDUYUXKPERDOJU-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-5-15(4)22-19(24)17-9-6-8-16(12-17)18-10-7-11-23(13-18)20(25)21-14(2)3/h6,8-9,12,14-15,18H,5,7,10-11,13H2,1-4H3,(H,21,25)(H,22,24)/t15-,18+/m0/s1.
What are the key properties of (3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 92891172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).