cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone

C15H26N2O — CID 91919810

IUPACcyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(CN2CCCC2)CC1
InChIInChI=1S/C15H26N2O/c18-15(14-5-6-14)17-10-3-4-13(7-11-17)12-16-8-1-2-9-16/h13-14H,1-12H2
InChIKeyNFSIGWXMSQOKAU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.12
Rot. Bonds3

About cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone

cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone (PubChem CID 91919810) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
PubChem CID91919810
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Namecyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(CN2CCCC2)CC1
InChIInChI=1S/C15H26N2O/c18-15(14-5-6-14)17-10-3-4-13(7-11-17)12-16-8-1-2-9-16/h13-14H,1-12H2
InChIKeyNFSIGWXMSQOKAU-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
cyclopropyl-(4-propylazepan-1-yl)methanone
CID 49008153
4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 61059386
ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 176683952
1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683725
cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 170319473
1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683784
(3-aminocyclohexyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone
CID 119859687
1-[3-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55955082
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 167480597
cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone (CID 91919810) is cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone is O=C(C1CC1)N1CCCC(CN2CCCC2)CC1.
What is the InChIKey of cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone?
The InChIKey is NFSIGWXMSQOKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c18-15(14-5-6-14)17-10-3-4-13(7-11-17)12-16-8-1-2-9-16/h13-14H,1-12H2.
What are the key properties of cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone?
cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone has a molecular weight of 250.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone is sourced from PubChem (CID 91919810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).