cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone

C15H27N3O — CID 115269801

IUPACcyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2CC2)CCC1N1CCNCC1
InChIInChI=1S/C15H27N3O/c1-15(2)11-18(14(19)12-3-4-12)8-5-13(15)17-9-6-16-7-10-17/h12-13,16H,3-11H2,1-2H3
InChIKeyZBYPSOAYPCDZEZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.93
Rot. Bonds2

About cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone

cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone (PubChem CID 115269801) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone
PubChem CID115269801
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Namecyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2CC2)CCC1N1CCNCC1
InChIInChI=1S/C15H27N3O/c1-15(2)11-18(14(19)12-3-4-12)8-5-13(15)17-9-6-16-7-10-17/h12-13,16H,3-11H2,1-2H3
InChIKeyZBYPSOAYPCDZEZ-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine
CID 117025050
cyclopropyl(1,4-diazepan-1-yl)methanone
CID 16775568
1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine
CID 117025043
(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
CID 120818837
4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
CID 175756843
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone
CID 79507271
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide
CID 63121651
1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid
CID 175786910
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
(4-amino-3,3-dimethylpiperidin-1-yl)-(thian-4-yl)methanone
CID 120819844

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone (CID 115269801) is cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone is CC1(C)CN(C(=O)C2CC2)CCC1N1CCNCC1.
What is the InChIKey of cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone?
The InChIKey is ZBYPSOAYPCDZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(2)11-18(14(19)12-3-4-12)8-5-13(15)17-9-6-16-7-10-17/h12-13,16H,3-11H2,1-2H3.
What are the key properties of cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone?
cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone has a molecular weight of 265.40 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 115269801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).