1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide

C19H26ClFN4O2 — CID 1248147

IUPAC1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H26ClFN4O2/c20-15-12-14(4-5-16(15)21)23-17(26)13-24-10-6-19(7-11-24,18(22)27)25-8-2-1-3-9-25/h4-5,12H,1-3,6-11,13H2,(H2,22,27)(H,23,26)
InChIKeyPHGYUKNBJVZKKR-UHFFFAOYSA-N
MW396.89 g/mol
LogP2.22
Rot. Bonds5

About 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 1248147) has the molecular formula C19H26ClFN4O2 and a molecular weight of 396.89 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID1248147
Molecular FormulaC19H26ClFN4O2
Molecular Weight396.89 g/mol
Exact Mass396.17
IUPAC Name1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H26ClFN4O2/c20-15-12-14(4-5-16(15)21)23-17(26)13-24-10-6-19(7-11-24,18(22)27)25-8-2-1-3-9-25/h4-5,12H,1-3,6-11,13H2,(H2,22,27)(H,23,26)
InChIKeyPHGYUKNBJVZKKR-UHFFFAOYSA-N
XLogP2.22
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.89
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907508
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
N-(3-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 981650
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(3-chloro-4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146818
N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81097272
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 103576696
N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655154
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 1248147) is 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is PHGYUKNBJVZKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN4O2/c20-15-12-14(4-5-16(15)21)23-17(26)13-24-10-6-19(7-11-24,18(22)27)25-8-2-1-3-9-25/h4-5,12H,1-3,6-11,13H2,(H2,22,27)(H,23,26).
What are the key properties of 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 396.89 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 1248147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).