(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

C23H27N3O3 — CID 94082860

IUPAC(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1
InChIInChI=1S/C23H27N3O3/c1-15-11-16(2)13-19(12-15)23(29)26-10-4-5-18(14-26)22(28)25-21-8-6-20(7-9-21)24-17(3)27/h6-9,11-13,18H,4-5,10,14H2,1-3H3,(H,24,27)(H,25,28)/t18-/m0/s1
InChIKeyZKHFJOJPABTTEJ-SFHVURJKSA-N
MW393.49 g/mol
LogP3.75
Rot. Bonds4

About (3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (PubChem CID 94082860) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
PubChem CID94082860
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1
InChIInChI=1S/C23H27N3O3/c1-15-11-16(2)13-19(12-15)23(29)26-10-4-5-18(14-26)22(28)25-21-8-6-20(7-9-21)24-17(3)27/h6-9,11-13,18H,4-5,10,14H2,1-3H3,(H,24,27)(H,25,28)/t18-/m0/s1
InChIKeyZKHFJOJPABTTEJ-SFHVURJKSA-N
XLogP3.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833
S-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56544317
1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 138996186
1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
CID 55787560
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94082813
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
(3S)-N-(2-bromophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010502
(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082527

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (CID 94082860) is (3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1.
What is the InChIKey of (3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The InChIKey is ZKHFJOJPABTTEJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-11-16(2)13-19(12-15)23(29)26-10-4-5-18(14-26)22(28)25-21-8-6-20(7-9-21)24-17(3)27/h6-9,11-13,18H,4-5,10,14H2,1-3H3,(H,24,27)(H,25,28)/t18-/m0/s1.
What are the key properties of (3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).