(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide

C18H27N3O2 — CID 92890982

IUPAC(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCCCNC(=O)c1cccc([C@H]2CCCN(C(=O)NCC)C2)c1
InChIInChI=1S/C18H27N3O2/c1-3-10-20-17(22)15-8-5-7-14(12-15)16-9-6-11-21(13-16)18(23)19-4-2/h5,7-8,12,16H,3-4,6,9-11,13H2,1-2H3,(H,19,23)(H,20,22)/t16-/m0/s1
InChIKeyMXYAQMYBGZOUAG-INIZCTEOSA-N
MW317.43 g/mol
LogP2.74
Rot. Bonds5

About (3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide

(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 92890982) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID92890982
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCCCNC(=O)c1cccc([C@H]2CCCN(C(=O)NCC)C2)c1
InChIInChI=1S/C18H27N3O2/c1-3-10-20-17(22)15-8-5-7-14(12-15)16-9-6-11-21(13-16)18(23)19-4-2/h5,7-8,12,16H,3-4,6,9-11,13H2,1-2H3,(H,19,23)(H,20,22)/t16-/m0/s1
InChIKeyMXYAQMYBGZOUAG-INIZCTEOSA-N
XLogP2.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788931
(3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92891115
N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788858
(3R)-3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 92890984
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788867
3-[3-(azepane-1-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 46334239
N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788874
3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788910
(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891102
(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872813
N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333958

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 92890982) is (3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide is CCCNC(=O)c1cccc([C@H]2CCCN(C(=O)NCC)C2)c1.
What is the InChIKey of (3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is MXYAQMYBGZOUAG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-10-20-17(22)15-8-5-7-14(12-15)16-9-6-11-21(13-16)18(23)19-4-2/h5,7-8,12,16H,3-4,6,9-11,13H2,1-2H3,(H,19,23)(H,20,22)/t16-/m0/s1.
What are the key properties of (3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide?
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 92890982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).