1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

C23H25ClN4O2 — CID 16597479

IUPAC1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCC1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C23H25ClN4O2/c24-17-7-8-20(27-11-3-4-12-27)19(15-17)25-22(29)16-9-13-28(14-10-16)23-26-18-5-1-2-6-21(18)30-23/h1-2,5-8,15-16H,3-4,9-14H2,(H,25,29)
InChIKeyZJXNGWYBQRJZPD-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.94
Rot. Bonds4

About 1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 16597479) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
PubChem CID16597479
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCC1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C23H25ClN4O2/c24-17-7-8-20(27-11-3-4-12-27)19(15-17)25-22(29)16-9-13-28(14-10-16)23-26-18-5-1-2-6-21(18)30-23/h1-2,5-8,15-16H,3-4,9-14H2,(H,25,29)
InChIKeyZJXNGWYBQRJZPD-UHFFFAOYSA-N
XLogP4.94
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)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-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 112807549
1-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17423416
1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide
CID 46698256
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 17428124
1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240
1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 60576710
N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 134010957
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
CID 18082339

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (CID 16597479) is 1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCCC1)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is ZJXNGWYBQRJZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c24-17-7-8-20(27-11-3-4-12-27)19(15-17)25-22(29)16-9-13-28(14-10-16)23-26-18-5-1-2-6-21(18)30-23/h1-2,5-8,15-16H,3-4,9-14H2,(H,25,29).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 16597479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).