1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide

C21H22ClN3O2 — CID 26002595

IUPAC1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1Cl
InChIInChI=1S/C21H22ClN3O2/c1-14(16-6-2-3-7-17(16)22)23-20(26)15-10-12-25(13-11-15)21-24-18-8-4-5-9-19(18)27-21/h2-9,14-15H,10-13H2,1H3,(H,23,26)/t14-/m1/s1
InChIKeyMNIVNWAOCBTVJS-CQSZACIVSA-N
MW383.88 g/mol
LogP4.57
Rot. Bonds4

About 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 26002595) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID26002595
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1Cl
InChIInChI=1S/C21H22ClN3O2/c1-14(16-6-2-3-7-17(16)22)23-20(26)15-10-12-25(13-11-15)21-24-18-8-4-5-9-19(18)27-21/h2-9,14-15H,10-13H2,1H3,(H,23,26)/t14-/m1/s1
InChIKeyMNIVNWAOCBTVJS-CQSZACIVSA-N
XLogP4.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
CID 134012022
2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119169865
(2S)-2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119359710
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
N-(1-amino-4-methylpentan-2-yl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119588066
1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide
CID 16602272
1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide
CID 17415594
1-(1,3-benzoxazol-2-yl)-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
CID 42014957
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 25359789
N-(2-amino-1-cyclohexylethyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 119591481
1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 24597757

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide (CID 26002595) is 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide is C[C@@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1Cl.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is MNIVNWAOCBTVJS-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-14(16-6-2-3-7-17(16)22)23-20(26)15-10-12-25(13-11-15)21-24-18-8-4-5-9-19(18)27-21/h2-9,14-15H,10-13H2,1H3,(H,23,26)/t14-/m1/s1.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 26002595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).