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

C16H21N3O2 — CID 3761940

IUPAC4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C16H21N3O2/c1-2-9-17-16(20)19-10-7-12(8-11-19)15-18-13-5-3-4-6-14(13)21-15/h3-6,12H,2,7-11H2,1H3,(H,17,20)
InChIKeyNWQJISLQCXZUHU-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.13
Rot. Bonds3

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

4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide (PubChem CID 3761940) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
PubChem CID3761940
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C16H21N3O2/c1-2-9-17-16(20)19-10-7-12(8-11-19)15-18-13-5-3-4-6-14(13)21-15/h3-6,12H,2,7-11H2,1H3,(H,17,20)
InChIKeyNWQJISLQCXZUHU-UHFFFAOYSA-N
XLogP3.13
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide
CID 18532742
4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 86912723
4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 1429802
4-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 38202837
4-(1,3-benzoxazol-2-yl)-N-ethylpiperidine-1-carbothioamide
CID 43815862
4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 644531
4-(1,3-benzoxazol-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 55798834
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-bromobutan-1-one
CID 62856831
ethyl 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoacetate
CID 21007968
N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide
CID 44753677
4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 55929808
tert-butyl N-[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxobutyl]carbamate
CID 51217581

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide (CID 3761940) is 4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide?
The InChIKey is NWQJISLQCXZUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-9-17-16(20)19-10-7-12(8-11-19)15-18-13-5-3-4-6-14(13)21-15/h3-6,12H,2,7-11H2,1H3,(H,17,20).
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide?
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 3761940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).