1,4-diazepan-1-yl(naphthalen-1-yl)methanone

C16H18N2O — CID 18933042

IUPAC1,4-diazepan-1-yl(naphthalen-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCCNCC1
InChIInChI=1S/C16H18N2O/c19-16(18-11-4-9-17-10-12-18)15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8,17H,4,9-12H2
InChIKeyNIPZOEIYGROZLA-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.28
Rot. Bonds1

About 1,4-diazepan-1-yl(naphthalen-1-yl)methanone

1,4-diazepan-1-yl(naphthalen-1-yl)methanone (PubChem CID 18933042) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,4-diazepan-1-yl(naphthalen-1-yl)methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl(naphthalen-1-yl)methanone
PubChem CID18933042
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1,4-diazepan-1-yl(naphthalen-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCCNCC1
InChIInChI=1S/C16H18N2O/c19-16(18-11-4-9-17-10-12-18)15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8,17H,4,9-12H2
InChIKeyNIPZOEIYGROZLA-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
(2-bromophenyl)-(1,4-diazepan-1-yl)methanone
CID 16771837
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone
CID 82509255
(2-amino-3-bromophenyl)-(1,4-diazepan-1-yl)methanone
CID 82547204
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one
CID 108569239
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
pyren-1-yl(3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-6-yl)methanone
CID 10837185
(7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone
CID 70289039
1,4-diazepan-1-yl-(2-morpholin-4-ylsulfonylphenyl)methanone
CID 119417300

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl(naphthalen-1-yl)methanone?
The IUPAC name of 1,4-diazepan-1-yl(naphthalen-1-yl)methanone (CID 18933042) is 1,4-diazepan-1-yl(naphthalen-1-yl)methanone.
What is the SMILES notation for 1,4-diazepan-1-yl(naphthalen-1-yl)methanone?
The canonical SMILES for 1,4-diazepan-1-yl(naphthalen-1-yl)methanone is O=C(c1cccc2ccccc12)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl(naphthalen-1-yl)methanone?
The InChIKey is NIPZOEIYGROZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(18-11-4-9-17-10-12-18)15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8,17H,4,9-12H2.
What are the key properties of 1,4-diazepan-1-yl(naphthalen-1-yl)methanone?
1,4-diazepan-1-yl(naphthalen-1-yl)methanone has a molecular weight of 254.33 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl(naphthalen-1-yl)methanone is sourced from PubChem (CID 18933042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).