N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride

C16H20ClN3O2 — CID 119290775

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2oc(C3CC3)nc2c1)C1CCNCC1
InChIInChI=1S/C16H19N3O2.ClH/c20-15(10-5-7-17-8-6-10)18-12-3-4-14-13(9-12)19-16(21-14)11-1-2-11;/h3-4,9-11,17H,1-2,5-8H2,(H,18,20);1H
InChIKeyIOINYFILSVEYFS-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.07
Rot. Bonds3

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119290775) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119290775
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2oc(C3CC3)nc2c1)C1CCNCC1
InChIInChI=1S/C16H19N3O2.ClH/c20-15(10-5-7-17-8-6-10)18-12-3-4-14-13(9-12)19-16(21-14)11-1-2-11;/h3-4,9-11,17H,1-2,5-8H2,(H,18,20);1H
InChIKeyIOINYFILSVEYFS-UHFFFAOYSA-N
XLogP3.07
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride 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

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine
CID 79701065
(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 94146559
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-nitrocyclopropane-1-carboxamide
CID 51117633
2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
CID 55619996
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 122075730
(4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 94783798
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 79287727
N-[4-[5-(cyclohexanecarbonylamino)-1,3-benzoxazol-2-yl]phenyl]cyclohexanecarboxamide
CID 1092407
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
CID 81251766

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride (CID 119290775) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2oc(C3CC3)nc2c1)C1CCNCC1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is IOINYFILSVEYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.ClH/c20-15(10-5-7-17-8-6-10)18-12-3-4-14-13(9-12)19-16(21-14)11-1-2-11;/h3-4,9-11,17H,1-2,5-8H2,(H,18,20);1H.
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119290775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).