(3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide

C24H31N3O3 — CID 92891498

IUPAC(3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3ccc(OC(C)C)cc3)c2)C1
InChIInChI=1S/C24H31N3O3/c1-17(2)30-22-11-9-18(10-12-22)15-26-23(28)20-7-4-6-19(14-20)21-8-5-13-27(16-21)24(29)25-3/h4,6-7,9-12,14,17,21H,5,8,13,15-16H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyFEAAQSIHWKVYLV-NRFANRHFSA-N
MW409.53 g/mol
LogP3.92
Rot. Bonds6

About (3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide

(3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 92891498) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
PubChem CID92891498
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3ccc(OC(C)C)cc3)c2)C1
InChIInChI=1S/C24H31N3O3/c1-17(2)30-22-11-9-18(10-12-22)15-26-23(28)20-7-4-6-19(14-20)21-8-5-13-27(16-21)24(29)25-3/h4,6-7,9-12,14,17,21H,5,8,13,15-16H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyFEAAQSIHWKVYLV-NRFANRHFSA-N
XLogP3.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
3-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789050
3-[3-[(3-bromophenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 50789043
(3R)-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92872954
(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891338
(3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891474
(3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891212
(3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891393
(3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891138
N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50789022
N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334023

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide (CID 92891498) is (3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide is CNC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3ccc(OC(C)C)cc3)c2)C1.
What is the InChIKey of (3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is FEAAQSIHWKVYLV-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17(2)30-22-11-9-18(10-12-22)15-26-23(28)20-7-4-6-19(14-20)21-8-5-13-27(16-21)24(29)25-3/h4,6-7,9-12,14,17,21H,5,8,13,15-16H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1.
What are the key properties of (3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
(3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 92891498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).