2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide

C21H27N3O — CID 124591552

IUPAC2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide
SMILESCc1ccc(C)c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1
InChIInChI=1S/C21H27N3O/c1-15-4-5-16(2)20(14-15)21(25)23-19-8-12-24(13-9-19)17(3)18-6-10-22-11-7-18/h4-7,10-11,14,17,19H,8-9,12-13H2,1-3H3,(H,23,25)/t17-/m0/s1
InChIKeyWKTVFDFTNBNLAU-KRWDZBQOSA-N
MW337.47 g/mol
LogP3.65
Rot. Bonds4

About 2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide

2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide (PubChem CID 124591552) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide
PubChem CID124591552
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide
SMILESCc1ccc(C)c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1
InChIInChI=1S/C21H27N3O/c1-15-4-5-16(2)20(14-15)21(25)23-19-8-12-24(13-9-19)17(3)18-6-10-22-11-7-18/h4-7,10-11,14,17,19H,8-9,12-13H2,1-3H3,(H,23,25)/t17-/m0/s1
InChIKeyWKTVFDFTNBNLAU-KRWDZBQOSA-N
XLogP3.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1H-indole-5-carboxamide
CID 124591554
5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 124591641
1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide
CID 99696199
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126795988
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99700655
4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 124591472
3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide
CID 124616754
3-(5-methyl-1,2-oxazol-3-yl)-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]propanamide
CID 167941273
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 99701439
1-methyl-1-(2-methylprop-2-enyl)-3-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]urea
CID 124615698

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide (CID 124591552) is 2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide is Cc1ccc(C)c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide?
The InChIKey is WKTVFDFTNBNLAU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15-4-5-16(2)20(14-15)21(25)23-19-8-12-24(13-9-19)17(3)18-6-10-22-11-7-18/h4-7,10-11,14,17,19H,8-9,12-13H2,1-3H3,(H,23,25)/t17-/m0/s1.
What are the key properties of 2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide?
2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide has a molecular weight of 337.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 124591552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).