4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide

C20H26ClN3O3 — CID 136515348

IUPAC4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C20H26ClN3O3/c1-14(22-19(26)15-5-7-16(21)8-6-15)20(27)23-12-9-17(10-13-23)24-11-3-2-4-18(24)25/h5-8,14,17H,2-4,9-13H2,1H3,(H,22,26)
InChIKeyDQKZDDYVYHJCQF-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.46
Rot. Bonds4

About 4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide

4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide (PubChem CID 136515348) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide
PubChem CID136515348
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C20H26ClN3O3/c1-14(22-19(26)15-5-7-16(21)8-6-15)20(27)23-12-9-17(10-13-23)24-11-3-2-4-18(24)25/h5-8,14,17H,2-4,9-13H2,1H3,(H,22,26)
InChIKeyDQKZDDYVYHJCQF-UHFFFAOYSA-N
XLogP2.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349897
4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 119647961
4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119493230
4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119418273
N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119437390
1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122114461
4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 25482263
4-chloro-N-[1-[4-(2-methylpropyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 112765552
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide
CID 119580374
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 52509087
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 52509086
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119664374

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide (CID 136515348) is 4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of 4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide?
The InChIKey is DQKZDDYVYHJCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-14(22-19(26)15-5-7-16(21)8-6-15)20(27)23-12-9-17(10-13-23)24-11-3-2-4-18(24)25/h5-8,14,17H,2-4,9-13H2,1H3,(H,22,26).
What are the key properties of 4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide?
4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide has a molecular weight of 391.90 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide is sourced from PubChem (CID 136515348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).