cyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone

C16H28N2O — CID 167912690

IUPACcyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCC1CCCC1CN1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H28N2O/c1-13-4-2-5-15(13)12-17-8-3-9-18(11-10-17)16(19)14-6-7-14/h13-15H,2-12H2,1H3
InChIKeyOPNDHUHPAKXIQS-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.37
Rot. Bonds3

About cyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone

cyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 167912690) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is cyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID167912690
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Namecyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCC1CCCC1CN1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H28N2O/c1-13-4-2-5-15(13)12-17-8-3-9-18(11-10-17)16(19)14-6-7-14/h13-15H,2-12H2,1H3
InChIKeyOPNDHUHPAKXIQS-UHFFFAOYSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 91919810
cyclobutyl-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 78870570
[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 43252118
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2-methylcyclopentyl)methanone
CID 107174533
cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63309624
1-[4-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 63308410
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one
CID 82126762
(3-aminocyclohexyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone
CID 119859687
2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 64822046

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone (CID 167912690) is cyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone is CC1CCCC1CN1CCCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is OPNDHUHPAKXIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-4-2-5-15(13)12-17-8-3-9-18(11-10-17)16(19)14-6-7-14/h13-15H,2-12H2,1H3.
What are the key properties of cyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone?
cyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 264.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 167912690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).