2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide

C21H26ClN3O2 — CID 86263583

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-21(2,27-19-5-3-17(22)4-6-19)20(26)24-15-16-9-13-25(14-10-16)18-7-11-23-12-8-18/h3-8,11-12,16H,9-10,13-15H2,1-2H3,(H,24,26)
InChIKeySXNNKVCCSOBLLJ-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.93
Rot. Bonds6

About 2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide (PubChem CID 86263583) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide
PubChem CID86263583
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-21(2,27-19-5-3-17(22)4-6-19)20(26)24-15-16-9-13-25(14-10-16)18-7-11-23-12-8-18/h3-8,11-12,16H,9-10,13-15H2,1-2H3,(H,24,26)
InChIKeySXNNKVCCSOBLLJ-UHFFFAOYSA-N
XLogP3.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide with MolForge

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Related Compounds

N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 121109315
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 121107711
2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 142457496
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 34995850
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650
1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 121108845
2-chloro-6-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 86263563
2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide
CID 90595323
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide (CID 86263583) is 2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide?
The InChIKey is SXNNKVCCSOBLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-21(2,27-19-5-3-17(22)4-6-19)20(26)24-15-16-9-13-25(14-10-16)18-7-11-23-12-8-18/h3-8,11-12,16H,9-10,13-15H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide has a molecular weight of 387.91 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 86263583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).