4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide

C21H35N3O — CID 67647635

IUPAC4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide
SMILESCCCC(Cc1ccc(C(=O)N(CC)CC)cc1)N1CCCNCC1
InChIInChI=1S/C21H35N3O/c1-4-8-20(24-15-7-13-22-14-16-24)17-18-9-11-19(12-10-18)21(25)23(5-2)6-3/h9-12,20,22H,4-8,13-17H2,1-3H3
InChIKeyMOAREGOIEPXSRM-UHFFFAOYSA-N
MW345.53 g/mol
LogP3.18
Rot. Bonds8

About 4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide

4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide (PubChem CID 67647635) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is 4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide
PubChem CID67647635
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Name4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide
SMILESCCCC(Cc1ccc(C(=O)N(CC)CC)cc1)N1CCCNCC1
InChIInChI=1S/C21H35N3O/c1-4-8-20(24-15-7-13-22-14-16-24)17-18-9-11-19(12-10-18)21(25)23(5-2)6-3/h9-12,20,22H,4-8,13-17H2,1-3H3
InChIKeyMOAREGOIEPXSRM-UHFFFAOYSA-N
XLogP3.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide
CID 10618862
4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide
CID 10786358
4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid
CID 82352241
1-(1-phenylhexan-2-yl)piperazine
CID 67652874
N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide
CID 69341375
4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid
CID 82352205
4-butyl-N,N-diethylbenzamide
CID 60675001
4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide
CID 10410679
N,N-diethyl-4-[(S)-[3-[(2-phenylacetyl)amino]phenyl]-piperazin-1-ylmethyl]benzamide
CID 10345250
1-[(3R)-hexan-3-yl]piperazine
CID 94350939
N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 86984501
N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride
CID 76848958

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide (CID 67647635) is 4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide is CCCC(Cc1ccc(C(=O)N(CC)CC)cc1)N1CCCNCC1.
What is the InChIKey of 4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide?
The InChIKey is MOAREGOIEPXSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c1-4-8-20(24-15-7-13-22-14-16-24)17-18-9-11-19(12-10-18)21(25)23(5-2)6-3/h9-12,20,22H,4-8,13-17H2,1-3H3.
What are the key properties of 4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide?
4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide has a molecular weight of 345.53 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide is sourced from PubChem (CID 67647635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).