3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide

C25H38N4O3 — CID 26666862

IUPAC3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c1
InChIInChI=1S/C25H38N4O3/c1-3-28(4-2)25(32)21-10-9-11-22(18-21)26-23(30)19-27-16-12-20(13-17-27)24(31)29-14-7-5-6-8-15-29/h9-11,18,20H,3-8,12-17,19H2,1-2H3,(H,26,30)
InChIKeyUOEZZSHKXBGEMX-UHFFFAOYSA-N
MW442.60 g/mol
LogP3.22
Rot. Bonds7

About 3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide

3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide (PubChem CID 26666862) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide
PubChem CID26666862
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c1
InChIInChI=1S/C25H38N4O3/c1-3-28(4-2)25(32)21-10-9-11-22(18-21)26-23(30)19-27-16-12-20(13-17-27)24(31)29-14-7-5-6-8-15-29/h9-11,18,20H,3-8,12-17,19H2,1-2H3,(H,26,30)
InChIKeyUOEZZSHKXBGEMX-UHFFFAOYSA-N
XLogP3.22
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide
CID 32610918
tert-butyl 4-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperazine-1-carboxylate
CID 34197048
3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide
CID 46614906
N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 8596359
3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 102556035
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843436
N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 86924989
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 52689774

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide (CID 26666862) is 3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c1.
What is the InChIKey of 3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is UOEZZSHKXBGEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-3-28(4-2)25(32)21-10-9-11-22(18-21)26-23(30)19-27-16-12-20(13-17-27)24(31)29-14-7-5-6-8-15-29/h9-11,18,20H,3-8,12-17,19H2,1-2H3,(H,26,30).
What are the key properties of 3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide?
3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 442.60 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 26666862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).