1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C20H21ClN4O2 — CID 154817860

IUPAC1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)C1CCCN(c2nc3cc(Cl)ccc3o2)C1
InChIInChI=1S/C20H21ClN4O2/c1-24(13-16-6-2-3-9-22-16)19(26)14-5-4-10-25(12-14)20-23-17-11-15(21)7-8-18(17)27-20/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3
InChIKeyAYBCLVMLENHVKF-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.75
Rot. Bonds4

About 1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 154817860) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID154817860
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)C1CCCN(c2nc3cc(Cl)ccc3o2)C1
InChIInChI=1S/C20H21ClN4O2/c1-24(13-16-6-2-3-9-22-16)19(26)14-5-4-10-25(12-14)20-23-17-11-15(21)7-8-18(17)27-20/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3
InChIKeyAYBCLVMLENHVKF-UHFFFAOYSA-N
XLogP3.75
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 154819564
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800806
(3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97219868
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 154567273
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45222783
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(methanesulfonamido)ethyl]piperidine-3-carboxamide
CID 155497627
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine
CID 171997676
1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride
CID 90484315
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide
CID 154818376
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide
CID 155505078
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650989

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 154817860) is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is CN(Cc1ccccn1)C(=O)C1CCCN(c2nc3cc(Cl)ccc3o2)C1.
What is the InChIKey of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is AYBCLVMLENHVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-24(13-16-6-2-3-9-22-16)19(26)14-5-4-10-25(12-14)20-23-17-11-15(21)7-8-18(17)27-20/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3.
What are the key properties of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 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-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 154817860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).