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

C17H23N3O2 — CID 15993683

IUPAC1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C17H23N3O2/c1-2-3-10-18-16(21)13-8-11-20(12-9-13)17-19-14-6-4-5-7-15(14)22-17/h4-7,13H,2-3,8-12H2,1H3,(H,18,21)
InChIKeyCVOJUONXEWWGOV-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.96
Rot. Bonds5

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

1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide (PubChem CID 15993683) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
PubChem CID15993683
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C17H23N3O2/c1-2-3-10-18-16(21)13-8-11-20(12-9-13)17-19-14-6-4-5-7-15(14)22-17/h4-7,13H,2-3,8-12H2,1H3,(H,18,21)
InChIKeyCVOJUONXEWWGOV-UHFFFAOYSA-N
XLogP2.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18145860
1-(1,3-benzoxazol-2-yl)-N-[2-(cycloheptylamino)ethyl]piperidine-4-carboxamide
CID 119620972
1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide
CID 24654958
1-(1,3-benzoxazol-2-yl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 24607473
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-(2-benzylsulfanylethyl)piperidine-4-carboxamide
CID 24606825
1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide
CID 4082568
methyl 3-[[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidine-4-carbonyl]amino]propanoate
CID 42311490
1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide
CID 24584539
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
1-(1,3-benzoxazol-2-yl)-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
CID 42014957
1-(1,3-benzoxazol-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 32605823

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide (CID 15993683) is 1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide?
The InChIKey is CVOJUONXEWWGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-3-10-18-16(21)13-8-11-20(12-9-13)17-19-14-6-4-5-7-15(14)22-17/h4-7,13H,2-3,8-12H2,1H3,(H,18,21).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.96, 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-butylpiperidine-4-carboxamide is sourced from PubChem (CID 15993683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).