(3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide

C24H31N3O2 — CID 92891474

IUPAC(3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
SMILESCCc1ccc([C@H](C)NC(=O)c2cccc([C@H]3CCCN(C(=O)NC)C3)c2)cc1
InChIInChI=1S/C24H31N3O2/c1-4-18-10-12-19(13-11-18)17(2)26-23(28)21-8-5-7-20(15-21)22-9-6-14-27(16-22)24(29)25-3/h5,7-8,10-13,15,17,22H,4,6,9,14,16H2,1-3H3,(H,25,29)(H,26,28)/t17-,22-/m0/s1
InChIKeyZMMUQZSOBALHQC-JTSKRJEESA-N
MW393.53 g/mol
LogP4.26
Rot. Bonds5

About (3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide

(3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide (PubChem CID 92891474) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is (3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
PubChem CID92891474
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name(3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
SMILESCCc1ccc([C@H](C)NC(=O)c2cccc([C@H]3CCCN(C(=O)NC)C3)c2)cc1
InChIInChI=1S/C24H31N3O2/c1-4-18-10-12-19(13-11-18)17(2)26-23(28)21-8-5-7-20(15-21)22-9-6-14-27(16-22)24(29)25-3/h5,7-8,10-13,15,17,22H,4,6,9,14,16H2,1-3H3,(H,25,29)(H,26,28)/t17-,22-/m0/s1
InChIKeyZMMUQZSOBALHQC-JTSKRJEESA-N
XLogP4.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.26
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
(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891102
3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788876
3-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789050
(3S)-3-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92872947
(3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891393
(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891172
(3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92891498
(3S)-3-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92890941
(3S)-N-methyl-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872985
N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50789022
3-[3-[(3-bromophenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 50789043

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide (CID 92891474) is (3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide is CCc1ccc([C@H](C)NC(=O)c2cccc([C@H]3CCCN(C(=O)NC)C3)c2)cc1.
What is the InChIKey of (3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is ZMMUQZSOBALHQC-JTSKRJEESA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-18-10-12-19(13-11-18)17(2)26-23(28)21-8-5-7-20(15-21)22-9-6-14-27(16-22)24(29)25-3/h5,7-8,10-13,15,17,22H,4,6,9,14,16H2,1-3H3,(H,25,29)(H,26,28)/t17-,22-/m0/s1.
What are the key properties of (3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide?
(3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 92891474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).