(3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide

C23H28N2O2 — CID 25383194

IUPAC(3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)24-22(27)25-15-7-10-20(16-25)21(26)19-13-11-18(12-14-19)17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,7,10,15-16H2,1-3H3,(H,24,27)/t20-/m1/s1
InChIKeyYNCMMWXKTARUOW-HXUWFJFHSA-N
MW364.49 g/mol
LogP4.76
Rot. Bonds3

About (3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide

(3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide (PubChem CID 25383194) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
PubChem CID25383194
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)24-22(27)25-15-7-10-20(16-25)21(26)19-13-11-18(12-14-19)17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,7,10,15-16H2,1-3H3,(H,24,27)/t20-/m1/s1
InChIKeyYNCMMWXKTARUOW-HXUWFJFHSA-N
XLogP4.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
CID 25383197
1-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]but-2-yn-1-one
CID 25485299
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
3-methylsulfanyl-1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one
CID 42309527
1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 42347424
(4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone
CID 42306915
[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45209504
[(3R)-1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 25488367
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709
[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 42454203
[1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45205195

Frequently Asked Questions

What is the IUPAC name of (3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide (CID 25383194) is (3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of (3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide?
The InChIKey is YNCMMWXKTARUOW-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2,3)24-22(27)25-15-7-10-20(16-25)21(26)19-13-11-18(12-14-19)17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,7,10,15-16H2,1-3H3,(H,24,27)/t20-/m1/s1.
What are the key properties of (3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide?
(3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 25383194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).