1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide

C25H28ClN3O3 — CID 71521225

IUPAC1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1COc1ccccc1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C25H28ClN3O3/c26-19-9-10-23-22(15-19)28-25(32-23)29-13-11-17(12-14-29)24(30)27-21-8-4-5-18(21)16-31-20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,21H,4-5,8,11-14,16H2,(H,27,30)/t18-,21+/m1/s1
InChIKeyFNGMKPWLZXNWOD-NQIIRXRSSA-N
MW453.97 g/mol
LogP5.06
Rot. Bonds6

About 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide

1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide (PubChem CID 71521225) has the molecular formula C25H28ClN3O3 and a molecular weight of 453.97 g/mol. Its IUPAC name is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide
PubChem CID71521225
Molecular FormulaC25H28ClN3O3
Molecular Weight453.97 g/mol
Exact Mass453.18
IUPAC Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1COc1ccccc1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C25H28ClN3O3/c26-19-9-10-23-22(15-19)28-25(32-23)29-13-11-17(12-14-29)24(30)27-21-8-4-5-18(21)16-31-20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,21H,4-5,8,11-14,16H2,(H,27,30)/t18-,21+/m1/s1
InChIKeyFNGMKPWLZXNWOD-NQIIRXRSSA-N
XLogP5.06
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.97
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide 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

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-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide
CID 129373214
1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240
5-[[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 163367580
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]-3,3-difluorocyclopentane-1-carboxamide
CID 167081478
4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide
CID 71520912
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 16597479
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide (CID 71521225) is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide is O=C(N[C@H]1CCC[C@@H]1COc1ccccc1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide?
The InChIKey is FNGMKPWLZXNWOD-NQIIRXRSSA-N. The full InChI is InChI=1S/C25H28ClN3O3/c26-19-9-10-23-22(15-19)28-25(32-23)29-13-11-17(12-14-29)24(30)27-21-8-4-5-18(21)16-31-20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,21H,4-5,8,11-14,16H2,(H,27,30)/t18-,21+/m1/s1.
What are the key properties of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide?
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide has a molecular weight of 453.97 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-(phenoxymethyl)cyclopentyl]piperidine-4-carboxamide is sourced from PubChem (CID 71521225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).