(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide

C19H29N3O2 — CID 95297467

IUPAC(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)Nc2cccc(CC)c2)C1
InChIInChI=1S/C19H29N3O2/c1-3-7-18(23)20-13-16-9-6-11-22(14-16)19(24)21-17-10-5-8-15(4-2)12-17/h5,8,10,12,16H,3-4,6-7,9,11,13-14H2,1-2H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyYPGLJJBRERHNRO-MRXNPFEDSA-N
MW331.46 g/mol
LogP3.41
Rot. Bonds6

About (3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide

(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide (PubChem CID 95297467) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
PubChem CID95297467
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)Nc2cccc(CC)c2)C1
InChIInChI=1S/C19H29N3O2/c1-3-7-18(23)20-13-16-9-6-11-22(14-16)19(24)21-17-10-5-8-15(4-2)12-17/h5,8,10,12,16H,3-4,6-7,9,11,13-14H2,1-2H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyYPGLJJBRERHNRO-MRXNPFEDSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636
(3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 95273174
(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95093981
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598
N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761652
(3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 95093947
N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119310763
N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide
CID 71934329

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide (CID 95297467) is (3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide is CCCC(=O)NC[C@H]1CCCN(C(=O)Nc2cccc(CC)c2)C1.
What is the InChIKey of (3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide?
The InChIKey is YPGLJJBRERHNRO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-7-18(23)20-13-16-9-6-11-22(14-16)19(24)21-17-10-5-8-15(4-2)12-17/h5,8,10,12,16H,3-4,6-7,9,11,13-14H2,1-2H3,(H,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of (3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide?
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 95297467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).