N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide

C13H25N3O — CID 43115745

IUPACN-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCCNCC1
InChIInChI=1S/C13H25N3O/c1-11(16-9-4-7-14-8-10-16)13(17)15-12-5-2-3-6-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyZBVGJFKPTWNXCU-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds3

About N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide

N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide (PubChem CID 43115745) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide
PubChem CID43115745
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCCNCC1
InChIInChI=1S/C13H25N3O/c1-11(16-9-4-7-14-8-10-16)13(17)15-12-5-2-3-6-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyZBVGJFKPTWNXCU-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115733
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride
CID 119925326
N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide
CID 43373704
N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide
CID 63924147
2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119450526
N-(3-ethylcyclohexyl)-2-piperazin-1-ylpropanamide
CID 64743330
(2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide
CID 124612749
N-cyclopentyl-2-(3-methylpiperazin-1-yl)propanamide
CID 65447521
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60573199
N-(2-methylcyclopropyl)-2-piperazin-1-ylpropanamide
CID 62408631
N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 51073855

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide?
The IUPAC name of N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide (CID 43115745) is N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide?
The canonical SMILES for N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide is CC(C(=O)NC1CCCC1)N1CCCNCC1.
What is the InChIKey of N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide?
The InChIKey is ZBVGJFKPTWNXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(16-9-4-7-14-8-10-16)13(17)15-12-5-2-3-6-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide?
N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide has a molecular weight of 239.36 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide is sourced from PubChem (CID 43115745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).