azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone

C17H31N3O — CID 64563256

IUPACazepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H31N3O/c21-17(16-7-3-1-4-10-18-16)20-13-8-15(9-14-20)19-11-5-2-6-12-19/h15-16,18H,1-14H2
InChIKeyHLNKVABKHSCPIH-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.00
Rot. Bonds2

About azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone

azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 64563256) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Nameazepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID64563256
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Nameazepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H31N3O/c21-17(16-7-3-1-4-10-18-16)20-13-8-15(9-14-20)19-11-5-2-6-12-19/h15-16,18H,1-14H2
InChIKeyHLNKVABKHSCPIH-UHFFFAOYSA-N
XLogP2.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
CID 64570539
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[(2R)-piperidin-2-yl]methanone;dihydrochloride
CID 119868312
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(azepan-2-yl)methanone
CID 64563235
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
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
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
1-(azepane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 64568956

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 64563256) is azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C(C1CCCCCN1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is HLNKVABKHSCPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c21-17(16-7-3-1-4-10-18-16)20-13-8-15(9-14-20)19-11-5-2-6-12-19/h15-16,18H,1-14H2.
What are the key properties of azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone?
azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 293.46 g/mol, XLogP of 2.00, 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-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 64563256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).