azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone

C16H29N3O — CID 64570539

IUPACazepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H29N3O/c20-16(15-8-2-1-5-9-17-15)19-12-10-18(11-13-19)14-6-3-4-7-14/h14-15,17H,1-13H2
InChIKeyUSKBEFLTBQWYCB-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.61
Rot. Bonds2

About azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone

azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone (PubChem CID 64570539) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameazepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
PubChem CID64570539
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Nameazepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H29N3O/c20-16(15-8-2-1-5-9-17-15)19-12-10-18(11-13-19)14-6-3-4-7-14/h14-15,17H,1-13H2
InChIKeyUSKBEFLTBQWYCB-UHFFFAOYSA-N
XLogP1.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 64563256
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(azepan-2-yl)methanone
CID 64563235
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[(2R)-piperidin-2-yl]methanone;dihydrochloride
CID 119868312
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[(2R)-piperidin-2-yl]methanone
CID 104913916
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride
CID 119868355
azepan-2-yl(thiomorpholin-4-yl)methanone
CID 64563385
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone?
The IUPAC name of azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone (CID 64570539) is azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone.
What is the SMILES notation for azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone?
The canonical SMILES for azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone is O=C(C1CCCCCN1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone?
The InChIKey is USKBEFLTBQWYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c20-16(15-8-2-1-5-9-17-15)19-12-10-18(11-13-19)14-6-3-4-7-14/h14-15,17H,1-13H2.
What are the key properties of azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone?
azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone has a molecular weight of 279.43 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone is sourced from PubChem (CID 64570539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).