2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide

C21H24ClN3O3 — CID 142457496

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C21H24ClN3O3/c1-21(2,28-18-5-3-16(22)4-6-18)20(27)24-17-9-13-25(14-10-17)19(26)15-7-11-23-12-8-15/h3-8,11-12,17H,9-10,13-14H2,1-2H3,(H,24,27)
InChIKeyHVECGAIQSUIZDK-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.31
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 142457496) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID142457496
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C21H24ClN3O3/c1-21(2,28-18-5-3-16(22)4-6-18)20(27)24-17-9-13-25(14-10-17)19(26)15-7-11-23-12-8-15/h3-8,11-12,17H,9-10,13-14H2,1-2H3,(H,24,27)
InChIKeyHVECGAIQSUIZDK-UHFFFAOYSA-N
XLogP3.31
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236105
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 142457657
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 171343772
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
(2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide
CID 99636861
2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide
CID 86263583
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
2-(4-hydroxyphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108551204

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide (CID 142457496) is 2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is HVECGAIQSUIZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-21(2,28-18-5-3-16(22)4-6-18)20(27)24-17-9-13-25(14-10-17)19(26)15-7-11-23-12-8-15/h3-8,11-12,17H,9-10,13-14H2,1-2H3,(H,24,27).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 401.89 g/mol, XLogP of 3.31, 5 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-(pyridine-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 142457496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).