cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

C17H30N2O — CID 81483591

IUPACcycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1CCCCCC1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H30N2O/c20-17(15-5-3-1-2-4-6-15)19-11-9-16(10-12-19)18-13-14-7-8-14/h14-16,18H,1-13H2
InChIKeyVXACMUDPCOIUTG-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.95
Rot. Bonds4

About cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (PubChem CID 81483591) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
PubChem CID81483591
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Namecycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1CCCCCC1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H30N2O/c20-17(15-5-3-1-2-4-6-15)19-11-9-16(10-12-19)18-13-14-7-8-14/h14-16,18H,1-13H2
InChIKeyVXACMUDPCOIUTG-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119623859
[4-(cyclopropylmethylamino)piperidin-1-yl]-piperidin-1-ylmethanone
CID 115307169
cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 113283403
[4-(cyclopropylmethylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 115307161
(4-butylcyclohexyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624610
[4-(cyclopropylmethylamino)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119623679
1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119622385
[4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone
CID 115307101
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107181008
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119808786

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (CID 81483591) is cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is O=C(C1CCCCCC1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The InChIKey is VXACMUDPCOIUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c20-17(15-5-3-1-2-4-6-15)19-11-9-16(10-12-19)18-13-14-7-8-14/h14-16,18H,1-13H2.
What are the key properties of cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone has a molecular weight of 278.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 81483591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).