cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

C17H30N2O — CID 63256843

IUPACcycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1CCCCCC1)N1CCCCC1C1CCCN1
InChIInChI=1S/C17H30N2O/c20-17(14-8-3-1-2-4-9-14)19-13-6-5-11-16(19)15-10-7-12-18-15/h14-16,18H,1-13H2
InChIKeyBQMKIKWDKLHODQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.09
Rot. Bonds2

About cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63256843) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namecycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63256843
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Namecycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1CCCCCC1)N1CCCCC1C1CCCN1
InChIInChI=1S/C17H30N2O/c20-17(14-8-3-1-2-4-9-14)19-13-6-5-11-16(19)15-10-7-12-18-15/h14-16,18H,1-13H2
InChIKeyBQMKIKWDKLHODQ-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 55169525
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
CID 175339553
1-(2-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 76991018
1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 107690258
2-methyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256243
2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 55168953
N,N-dimethyl-2-pyrrolidin-2-ylpyrrolidine-1-carboxamide
CID 79154748
(2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 63256800
cyclopentyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259153
cyclohexyl-[2-(2-hydroxycyclopentyl)piperidin-1-yl]methanone
CID 79545603
(3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103511553

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63256843) is cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(C1CCCCCC1)N1CCCCC1C1CCCN1.
What is the InChIKey of cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is BQMKIKWDKLHODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c20-17(14-8-3-1-2-4-9-14)19-13-6-5-11-16(19)15-10-7-12-18-15/h14-16,18H,1-13H2.
What are the key properties of cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 278.44 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63256843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).