2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide

C18H27N3O2 — CID 92634096

IUPAC2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESCC(C)C(=O)N1CCC(CC(=O)N[C@H](C)c2ccccn2)CC1
InChIInChI=1S/C18H27N3O2/c1-13(2)18(23)21-10-7-15(8-11-21)12-17(22)20-14(3)16-6-4-5-9-19-16/h4-6,9,13-15H,7-8,10-12H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyYXSSDUIFYFSMGO-CQSZACIVSA-N
MW317.43 g/mol
LogP2.54
Rot. Bonds5

About 2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide

2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide (PubChem CID 92634096) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
PubChem CID92634096
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESCC(C)C(=O)N1CCC(CC(=O)N[C@H](C)c2ccccn2)CC1
InChIInChI=1S/C18H27N3O2/c1-13(2)18(23)21-10-7-15(8-11-21)12-17(22)20-14(3)16-6-4-5-9-19-16/h4-6,9,13-15H,7-8,10-12H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyYXSSDUIFYFSMGO-CQSZACIVSA-N
XLogP2.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-phenylacetyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634093
2-piperidin-4-yl-N-(1-pyridin-2-ylethyl)acetamide
CID 54910208
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634141
2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81406682
(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 94091157
2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634143
2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(1-pyridin-2-ylethyl)acetamide
CID 110246280
4-methyl-N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113223974
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 35939336
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 42905846
tert-butyl 4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175773

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide (CID 92634096) is 2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide is CC(C)C(=O)N1CCC(CC(=O)N[C@H](C)c2ccccn2)CC1.
What is the InChIKey of 2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is YXSSDUIFYFSMGO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)18(23)21-10-7-15(8-11-21)12-17(22)20-14(3)16-6-4-5-9-19-16/h4-6,9,13-15H,7-8,10-12H2,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 92634096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).