1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C20H23ClN4O2 — CID 55816221

IUPAC1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(C(=O)Nc1ccccc1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C20H23ClN4O2/c1-14(19(26)23-17-5-3-2-4-6-17)25-11-9-15(10-12-25)20(27)24-18-8-7-16(21)13-22-18/h2-8,13-15H,9-12H2,1H3,(H,23,26)(H,22,24,27)
InChIKeyWMTQXTSAVNEINB-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.41
Rot. Bonds5

About 1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55816221) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55816221
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(C(=O)Nc1ccccc1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C20H23ClN4O2/c1-14(19(26)23-17-5-3-2-4-6-17)25-11-9-15(10-12-25)20(27)24-18-8-7-16(21)13-22-18/h2-8,13-15H,9-12H2,1H3,(H,23,26)(H,22,24,27)
InChIKeyWMTQXTSAVNEINB-UHFFFAOYSA-N
XLogP3.41
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
N-(5-chloro-2-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55816065
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
CID 164584586
1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 30795732
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 25340743
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816261
N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 86889517
1-[1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 18094756
N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110019983
6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313945
N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide
CID 51961356

Frequently Asked Questions

What is the IUPAC name of 1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 55816221) is 1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is CC(C(=O)Nc1ccccc1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is WMTQXTSAVNEINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-14(19(26)23-17-5-3-2-4-6-17)25-11-9-15(10-12-25)20(27)24-18-8-7-16(21)13-22-18/h2-8,13-15H,9-12H2,1H3,(H,23,26)(H,22,24,27).
What are the key properties of 1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55816221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).