(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide

C27H38N4O2 — CID 92872741

IUPAC(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCN(CC)CC)c3)C2)cc1
InChIInChI=1S/C27H38N4O2/c1-4-21-12-14-25(15-13-21)29-27(33)31-17-8-11-24(20-31)22-9-7-10-23(19-22)26(32)28-16-18-30(5-2)6-3/h7,9-10,12-15,19,24H,4-6,8,11,16-18,20H2,1-3H3,(H,28,32)(H,29,33)/t24-/m1/s1
InChIKeyHQPCQTWVEPBZJS-XMMPIXPASA-N
MW450.63 g/mol
LogP4.73
Rot. Bonds9

About (3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide

(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide (PubChem CID 92872741) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is (3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
PubChem CID92872741
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCN(CC)CC)c3)C2)cc1
InChIInChI=1S/C27H38N4O2/c1-4-21-12-14-25(15-13-21)29-27(33)31-17-8-11-24(20-31)22-9-7-10-23(19-22)26(32)28-16-18-30(5-2)6-3/h7,9-10,12-15,19,24H,4-6,8,11,16-18,20H2,1-3H3,(H,28,32)(H,29,33)/t24-/m1/s1
InChIKeyHQPCQTWVEPBZJS-XMMPIXPASA-N
XLogP4.73
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-chlorophenyl)-3-[3-[3-(diethylamino)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872610
3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334158
(3S)-N-(4-ethylphenyl)-3-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872769
N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334023
(3S)-N-(4-ethylphenyl)-3-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872765
3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334145
(3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872616
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808
(3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872750
3-[3-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334212
(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872813
(3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872545

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide (CID 92872741) is (3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide is CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCN(CC)CC)c3)C2)cc1.
What is the InChIKey of (3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide?
The InChIKey is HQPCQTWVEPBZJS-XMMPIXPASA-N. The full InChI is InChI=1S/C27H38N4O2/c1-4-21-12-14-25(15-13-21)29-27(33)31-17-8-11-24(20-31)22-9-7-10-23(19-22)26(32)28-16-18-30(5-2)6-3/h7,9-10,12-15,19,24H,4-6,8,11,16-18,20H2,1-3H3,(H,28,32)(H,29,33)/t24-/m1/s1.
What are the key properties of (3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide?
(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide has a molecular weight of 450.63 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 92872741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).