1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide

C16H18ClN3O2 — CID 163349240

IUPAC1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C16H18ClN3O2/c17-11-1-4-14-13(9-11)19-16(22-14)20-7-5-10(6-8-20)15(21)18-12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,18,21)
InChIKeyMGOUDVVPWJSCFC-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.98
Rot. Bonds3

About 1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide

1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 163349240) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
PubChem CID163349240
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C16H18ClN3O2/c17-11-1-4-14-13(9-11)19-16(22-14)20-7-5-10(6-8-20)15(21)18-12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,18,21)
InChIKeyMGOUDVVPWJSCFC-UHFFFAOYSA-N
XLogP2.98
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 167081478
1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 154822947
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide
CID 129373214
4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide
CID 71520912
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide
CID 129373216
2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432232
N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 163367667
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide
CID 71521225
ethyl 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46735169
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 166603296
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide (CID 163349240) is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is MGOUDVVPWJSCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-11-1-4-14-13(9-11)19-16(22-14)20-7-5-10(6-8-20)15(21)18-12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,18,21).
What are the key properties of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide?
1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 163349240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).