3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide

C20H26N6O2 — CID 126793400

IUPAC3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)N2CCCC(c3nc4ccccc4o3)C2)n1
InChIInChI=1S/C20H26N6O2/c1-24(2)12-13-26-11-9-18(23-26)22-20(27)25-10-5-6-15(14-25)19-21-16-7-3-4-8-17(16)28-19/h3-4,7-9,11,15H,5-6,10,12-14H2,1-2H3,(H,22,23,27)
InChIKeyCPMQOVNQCGNNEG-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.00
Rot. Bonds5

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

3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 126793400) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide
PubChem CID126793400
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)N2CCCC(c3nc4ccccc4o3)C2)n1
InChIInChI=1S/C20H26N6O2/c1-24(2)12-13-26-11-9-18(23-26)22-20(27)25-10-5-6-15(14-25)19-21-16-7-3-4-8-17(16)28-19/h3-4,7-9,11,15H,5-6,10,12-14H2,1-2H3,(H,22,23,27)
InChIKeyCPMQOVNQCGNNEG-UHFFFAOYSA-N
XLogP3.00
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 86933260
1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 118792880
1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one
CID 126808828
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide
CID 125444704
4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 1429802
3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 75131700
N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide
CID 95129574
3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide
CID 86999034
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 51119873
methyl 3-[[(3S)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]amino]-4-fluorobenzoate
CID 94166013
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide
CID 139006084
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 94031409

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide (CID 126793400) is 3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide is CN(C)CCn1ccc(NC(=O)N2CCCC(c3nc4ccccc4o3)C2)n1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is CPMQOVNQCGNNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-24(2)12-13-26-11-9-18(23-26)22-20(27)25-10-5-6-15(14-25)19-21-16-7-3-4-8-17(16)28-19/h3-4,7-9,11,15H,5-6,10,12-14H2,1-2H3,(H,22,23,27).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide?
3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 126793400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).