1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide

C23H27N3O2 — CID 24584534

IUPAC1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide
SMILESCCCCN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-2-3-15-26(19-9-5-4-6-10-19)22(27)18-13-16-25(17-14-18)23-24-20-11-7-8-12-21(20)28-23/h4-12,18H,2-3,13-17H2,1H3
InChIKeyOZXSFKNXNIRIJJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.88
Rot. Bonds6

About 1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide (PubChem CID 24584534) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide
PubChem CID24584534
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide
SMILESCCCCN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-2-3-15-26(19-9-5-4-6-10-19)22(27)18-13-16-25(17-14-18)23-24-20-11-7-8-12-21(20)28-23/h4-12,18H,2-3,13-17H2,1H3
InChIKeyOZXSFKNXNIRIJJ-UHFFFAOYSA-N
XLogP4.88
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-ethylamino]propanoic acid
CID 119190939
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
1-(1,3-benzoxazol-2-yl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 24607473
N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride
CID 119584379
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide
CID 43062782
1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 34581496
2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid
CID 119191903
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide
CID 121109371
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3692836

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide (CID 24584534) is 1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide is CCCCN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is OZXSFKNXNIRIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-3-15-26(19-9-5-4-6-10-19)22(27)18-13-16-25(17-14-18)23-24-20-11-7-8-12-21(20)28-23/h4-12,18H,2-3,13-17H2,1H3.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 24584534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).