cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

C20H24N2O — CID 165434097

IUPACcyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H24N2O/c23-20(18-8-9-18)22-11-3-10-21(12-13-22)15-16-6-7-17-4-1-2-5-19(17)14-16/h1-2,4-7,14,18H,3,8-13,15H2
InChIKeyFFFOZWFFCAMBRP-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.28
Rot. Bonds3

About cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone (PubChem CID 165434097) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
PubChem CID165434097
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC Namecyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H24N2O/c23-20(18-8-9-18)22-11-3-10-21(12-13-22)15-16-6-7-17-4-1-2-5-19(17)14-16/h1-2,4-7,14,18H,3,8-13,15H2
InChIKeyFFFOZWFFCAMBRP-UHFFFAOYSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 70310445
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
cyclopropyl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23828867
cyclopentyl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23969373
2-[4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 138380921
cyclopropyl-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134702101
cyclobutyl-[4-(naphthalen-1-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 171329068
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
CID 19771944
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 71460524

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone (CID 165434097) is cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone is O=C(C1CC1)N1CCCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is FFFOZWFFCAMBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-20(18-8-9-18)22-11-3-10-21(12-13-22)15-16-6-7-17-4-1-2-5-19(17)14-16/h1-2,4-7,14,18H,3,8-13,15H2.
What are the key properties of cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 308.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 165434097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).