1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide

C22H32N4O2 — CID 18340171

IUPAC1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide
SMILESCC1CCCC(C)N1CCNC(=O)C1CCCCN1c1nc2ccccc2o1
InChIInChI=1S/C22H32N4O2/c1-16-8-7-9-17(2)25(16)15-13-23-21(27)19-11-5-6-14-26(19)22-24-18-10-3-4-12-20(18)28-22/h3-4,10,12,16-17,19H,5-9,11,13-15H2,1-2H3,(H,23,27)
InChIKeyNCJABCKEWSTEAY-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.57
Rot. Bonds5

About 1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide (PubChem CID 18340171) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide
PubChem CID18340171
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide
SMILESCC1CCCC(C)N1CCNC(=O)C1CCCCN1c1nc2ccccc2o1
InChIInChI=1S/C22H32N4O2/c1-16-8-7-9-17(2)25(16)15-13-23-21(27)19-11-5-6-14-26(19)22-24-18-10-3-4-12-20(18)28-22/h3-4,10,12,16-17,19H,5-9,11,13-15H2,1-2H3,(H,23,27)
InChIKeyNCJABCKEWSTEAY-UHFFFAOYSA-N
XLogP3.57
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide
CID 23441255
(2S)-1-(6-hydroxy-1,3-benzoxazol-2-yl)-N-[2-[(2R,6R)-2-(iodomethyl)-6-methylpiperidin-1-yl]ethyl]piperidine-2-carboxamide
CID 163909865
(2S)-1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethyl]piperidine-2-carboxamide;(2S)-1-(5,6-dimethyl-1,3-benzoxazol-2-yl)piperidine-2-carboxylic acid
CID 160680563
tert-butyl N-[3-[[1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carbonyl]amino]propyl]carbamate
CID 126850572
(2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 97427865
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 95583386
diethyl 2-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carbonyl]amino]propanedioate
CID 99903586
(2S)-3-(1,3-benzoxazol-2-yl)-N-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-5-fluoropiperidine-2-carboxamide
CID 70195872
(2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide
CID 97427914
(2S)-N-[2-[(2S,6R)-2,6-dimethylcyclohexyl]ethyl]-1-(5-methoxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide
CID 57224706
1-(1,3-benzoxazol-2-yl)-N-(2-bromophenyl)pyrrolidine-2-carboxamide
CID 71809846

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide (CID 18340171) is 1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide is CC1CCCC(C)N1CCNC(=O)C1CCCCN1c1nc2ccccc2o1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is NCJABCKEWSTEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-16-8-7-9-17(2)25(16)15-13-23-21(27)19-11-5-6-14-26(19)22-24-18-10-3-4-12-20(18)28-22/h3-4,10,12,16-17,19H,5-9,11,13-15H2,1-2H3,(H,23,27).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 3.57, 5 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-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 18340171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).