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

C11H21N3O — CID 43115733

IUPACN-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide
SMILESCC(C(=O)NC1CC1)N1CCCNCC1
InChIInChI=1S/C11H21N3O/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)
InChIKeyKEEIHHQUOBOWAJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.05
Rot. Bonds3

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

N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide (PubChem CID 43115733) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide
PubChem CID43115733
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide
SMILESCC(C(=O)NC1CC1)N1CCCNCC1
InChIInChI=1S/C11H21N3O/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)
InChIKeyKEEIHHQUOBOWAJ-UHFFFAOYSA-N
XLogP-0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride
CID 119925326
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-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide
CID 63924147
N-(3-ethylcyclohexyl)-2-piperazin-1-ylpropanamide
CID 64743330
N-(2-methylcyclopropyl)-2-piperazin-1-ylpropanamide
CID 62408631
N-cyclopropyl-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
CID 119839032
N-cyclopropyl-2-[4-(methylamino)piperidin-1-yl]propanamide
CID 60820306
N-cyclopropyl-2-(3-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119924485
(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?
The IUPAC name of N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide (CID 43115733) is N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide is CC(C(=O)NC1CC1)N1CCCNCC1.
What is the InChIKey of N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide?
The InChIKey is KEEIHHQUOBOWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/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).
What are the key properties of N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide?
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide has a molecular weight of 211.31 g/mol, XLogP of -0.05, 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 is sourced from PubChem (CID 43115733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).