4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide

C19H28N4O2 — CID 71866711

IUPAC4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(=O)N2CCCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C19H28N4O2/c20-19(25)15-6-8-16(9-7-15)21-14-18(24)23-11-3-10-22(12-13-23)17-4-1-2-5-17/h6-9,17,21H,1-5,10-14H2,(H2,20,25)
InChIKeyCHQMIUQZXJIMEQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.67
Rot. Bonds5

About 4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide

4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide (PubChem CID 71866711) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide
PubChem CID71866711
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(=O)N2CCCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C19H28N4O2/c20-19(25)15-6-8-16(9-7-15)21-14-18(24)23-11-3-10-22(12-13-23)17-4-1-2-5-17/h6-9,17,21H,1-5,10-14H2,(H2,20,25)
InChIKeyCHQMIUQZXJIMEQ-UHFFFAOYSA-N
XLogP1.67
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide
CID 47123026
2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119842954
4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide
CID 95933818
4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide
CID 123148142
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(4-fluorophenyl)butane-1,4-dione
CID 70754899
3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one
CID 83634844
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
N-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 154743258
4-[3-(4-cyclopentyl-1,4-diazepan-1-yl)propoxy]benzamide
CID 134700418
2-(3,4-diaminoanilino)-1-piperidin-1-ylethanone
CID 106751115
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-(propylamino)phenyl]methanone
CID 79933698

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide?
The IUPAC name of 4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide (CID 71866711) is 4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide is NC(=O)c1ccc(NCC(=O)N2CCCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide?
The InChIKey is CHQMIUQZXJIMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c20-19(25)15-6-8-16(9-7-15)21-14-18(24)23-11-3-10-22(12-13-23)17-4-1-2-5-17/h6-9,17,21H,1-5,10-14H2,(H2,20,25).
What are the key properties of 4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide?
4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide has a molecular weight of 344.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 71866711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).