1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide

C23H25N3O2 — CID 16602272

IUPAC1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C23H25N3O2/c27-22(25-21(17-10-11-17)16-6-2-1-3-7-16)18-12-14-26(15-13-18)23-24-19-8-4-5-9-20(19)28-23/h1-9,17-18,21H,10-15H2,(H,25,27)
InChIKeyYWRZZCWFZQSEAO-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.31
Rot. Bonds5

About 1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide (PubChem CID 16602272) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide
PubChem CID16602272
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C23H25N3O2/c27-22(25-21(17-10-11-17)16-6-2-1-3-7-16)18-12-14-26(15-13-18)23-24-19-8-4-5-9-20(19)28-23/h1-9,17-18,21H,10-15H2,(H,25,27)
InChIKeyYWRZZCWFZQSEAO-UHFFFAOYSA-N
XLogP4.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-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

1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
CID 134012022
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119169865
(2S)-2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119359710
N-(2-amino-1-cyclohexylethyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 119591481
1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 26002595
N-(1-amino-4-methylpentan-2-yl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119588066
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 112807549
1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide
CID 24654958
1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide (CID 16602272) is 1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide is O=C(NC(c1ccccc1)C1CC1)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YWRZZCWFZQSEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22(25-21(17-10-11-17)16-6-2-1-3-7-16)18-12-14-26(15-13-18)23-24-19-8-4-5-9-20(19)28-23/h1-9,17-18,21H,10-15H2,(H,25,27).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 16602272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).