N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride

C11H22ClN3O — CID 119925326

IUPACN-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride
SMILESCC(C(=O)NC1CC1)N1CCCNCC1.Cl
InChIInChI=1S/C11H21N3O.ClH/c1-9(11(15)13-10-3-4-10)14-7-2-5-12-6-8-14;/h9-10,12H,2-8H2,1H3,(H,13,15);1H
InChIKeyHMEXPGJXBATZFM-UHFFFAOYSA-N
MW247.77 g/mol
LogP0.37
Rot. Bonds3

About N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride

N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride (PubChem CID 119925326) has the molecular formula C11H22ClN3O and a molecular weight of 247.77 g/mol. Its IUPAC name is N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride
PubChem CID119925326
Molecular FormulaC11H22ClN3O
Molecular Weight247.77 g/mol
Exact Mass247.15
IUPAC NameN-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride
SMILESCC(C(=O)NC1CC1)N1CCCNCC1.Cl
InChIInChI=1S/C11H21N3O.ClH/c1-9(11(15)13-10-3-4-10)14-7-2-5-12-6-8-14;/h9-10,12H,2-8H2,1H3,(H,13,15);1H
InChIKeyHMEXPGJXBATZFM-UHFFFAOYSA-N
XLogP0.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 50.37
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-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115745
N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide
CID 43373704
2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119450526
N-cyclopropyl-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
CID 119839032
N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide
CID 63924147
N-cyclopropyl-2-(3-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119924485
N-(3-ethylcyclohexyl)-2-piperazin-1-ylpropanamide
CID 64743330
N-(2-methylcyclopropyl)-2-piperazin-1-ylpropanamide
CID 62408631
N-cyclopropyl-2-[4-(methylamino)piperidin-1-yl]propanamide
CID 60820306
(2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide
CID 124612749
2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60573199

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride?
The IUPAC name of N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride (CID 119925326) is N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride is CC(C(=O)NC1CC1)N1CCCNCC1.Cl.
What is the InChIKey of N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride?
The InChIKey is HMEXPGJXBATZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.ClH/c1-9(11(15)13-10-3-4-10)14-7-2-5-12-6-8-14;/h9-10,12H,2-8H2,1H3,(H,13,15);1H.
What are the key properties of N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride?
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 119925326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).