1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide

C18H23N3O2 — CID 134012022

IUPAC1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2nc3ccccc3o2)CC1)C1CC1
InChIInChI=1S/C18H23N3O2/c1-12(13-6-7-13)19-17(22)14-8-10-21(11-9-14)18-20-15-4-2-3-5-16(15)23-18/h2-5,12-14H,6-11H2,1H3,(H,19,22)
InChIKeyWGHBUUWFUYTUKH-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.96
Rot. Bonds4

About 1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide (PubChem CID 134012022) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
PubChem CID134012022
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2nc3ccccc3o2)CC1)C1CC1
InChIInChI=1S/C18H23N3O2/c1-12(13-6-7-13)19-17(22)14-8-10-21(11-9-14)18-20-15-4-2-3-5-16(15)23-18/h2-5,12-14H,6-11H2,1H3,(H,19,22)
InChIKeyWGHBUUWFUYTUKH-UHFFFAOYSA-N
XLogP2.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide
CID 16602272
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
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
N-(2-amino-1-cyclohexylethyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 119591481
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
1-(1,3-benzoxazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 16594434
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide
CID 24584539

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide (CID 134012022) is 1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(c2nc3ccccc3o2)CC1)C1CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide?
The InChIKey is WGHBUUWFUYTUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(13-6-7-13)19-17(22)14-8-10-21(11-9-14)18-20-15-4-2-3-5-16(15)23-18/h2-5,12-14H,6-11H2,1H3,(H,19,22).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.96, 4 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-(1-cyclopropylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134012022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).