1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide

C19H24ClN3O2 — CID 129373214

IUPAC1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide
SMILESC[C@@H]1CCC[C@H]1NC(=O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C19H24ClN3O2/c1-12-3-2-4-15(12)21-18(24)13-7-9-23(10-8-13)19-22-16-11-14(20)5-6-17(16)25-19/h5-6,11-13,15H,2-4,7-10H2,1H3,(H,21,24)/t12-,15-/m1/s1
InChIKeyQNEFGNKZMJLFIA-IUODEOHRSA-N
MW361.87 g/mol
LogP4.00
Rot. Bonds3

About 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide

1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide (PubChem CID 129373214) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide
PubChem CID129373214
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide
SMILESC[C@@H]1CCC[C@H]1NC(=O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C19H24ClN3O2/c1-12-3-2-4-15(12)21-18(24)13-7-9-23(10-8-13)19-22-16-11-14(20)5-6-17(16)25-19/h5-6,11-13,15H,2-4,7-10H2,1H3,(H,21,24)/t12-,15-/m1/s1
InChIKeyQNEFGNKZMJLFIA-IUODEOHRSA-N
XLogP4.00
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide
CID 129373216
1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide
CID 71521225
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 167081478
ethyl 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46735169
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide
CID 71520912
1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 154822947
N-(5-chloro-2-pyridinyl)-1-(5-methyl-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 136525935
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
N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 154570414

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide (CID 129373214) is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide is C[C@@H]1CCC[C@H]1NC(=O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide?
The InChIKey is QNEFGNKZMJLFIA-IUODEOHRSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-12-3-2-4-15(12)21-18(24)13-7-9-23(10-8-13)19-22-16-11-14(20)5-6-17(16)25-19/h5-6,11-13,15H,2-4,7-10H2,1H3,(H,21,24)/t12-,15-/m1/s1.
What are the key properties of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide?
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide has a molecular weight of 361.87 g/mol, XLogP of 4.00, 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-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide is sourced from PubChem (CID 129373214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).