2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide

C19H21ClN4O2 — CID 9254602

IUPAC2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H21ClN4O2/c1-14(22-18(25)16-4-2-3-5-17(16)20)19(26)24-12-10-23(11-13-24)15-6-8-21-9-7-15/h2-9,14H,10-13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyRCIRZNCVLSNKAB-AWEZNQCLSA-N
MW372.86 g/mol
LogP2.20
Rot. Bonds4

About 2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide

2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide (PubChem CID 9254602) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide
PubChem CID9254602
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H21ClN4O2/c1-14(22-18(25)16-4-2-3-5-17(16)20)19(26)24-12-10-23(11-13-24)15-6-8-21-9-7-15/h2-9,14H,10-13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyRCIRZNCVLSNKAB-AWEZNQCLSA-N
XLogP2.20
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 113246489
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
2-chloro-N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55969914
2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 110878743
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 115667153
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
methyl (2S)-2-[4-[(2S)-2-[(2-chlorobenzoyl)amino]propanoyl]piperazin-1-yl]-2-(2-chlorophenyl)acetate
CID 31882195
2-chloro-N-[1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 87029935
N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide
CID 9254937
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
2-fluoro-N-[(2S)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 95100164

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide (CID 9254602) is 2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide?
The InChIKey is RCIRZNCVLSNKAB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-14(22-18(25)16-4-2-3-5-17(16)20)19(26)24-12-10-23(11-13-24)15-6-8-21-9-7-15/h2-9,14H,10-13H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide?
2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide has a molecular weight of 372.86 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 9254602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).