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

C24H26ClN3O2 — CID 129373216

IUPAC1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@H]1c1ccccc1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C24H26ClN3O2/c25-18-9-10-22-21(15-18)27-24(30-22)28-13-11-17(12-14-28)23(29)26-20-8-4-7-19(20)16-5-2-1-3-6-16/h1-3,5-6,9-10,15,17,19-20H,4,7-8,11-14H2,(H,26,29)/t19-,20-/m0/s1
InChIKeyVDADWYKVUHMQAE-PMACEKPBSA-N
MW423.94 g/mol
LogP5.15
Rot. Bonds4

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

1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide (PubChem CID 129373216) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide
PubChem CID129373216
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@H]1c1ccccc1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C24H26ClN3O2/c25-18-9-10-22-21(15-18)27-24(30-22)28-13-11-17(12-14-28)23(29)26-20-8-4-7-19(20)16-5-2-1-3-6-16/h1-3,5-6,9-10,15,17,19-20H,4,7-8,11-14H2,(H,26,29)/t19-,20-/m0/s1
InChIKeyVDADWYKVUHMQAE-PMACEKPBSA-N
XLogP5.15
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide (CID 129373216) is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide is O=C(N[C@H]1CCC[C@H]1c1ccccc1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide?
The InChIKey is VDADWYKVUHMQAE-PMACEKPBSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c25-18-9-10-22-21(15-18)27-24(30-22)28-13-11-17(12-14-28)23(29)26-20-8-4-7-19(20)16-5-2-1-3-6-16/h1-3,5-6,9-10,15,17,19-20H,4,7-8,11-14H2,(H,26,29)/t19-,20-/m0/s1.
What are the key properties of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide?
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide has a molecular weight of 423.94 g/mol, XLogP of 5.15, 4 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-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide is sourced from PubChem (CID 129373216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).