cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

C15H24N2O — CID 113283403

IUPACcyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1CC=CC1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H24N2O/c18-15(13-3-1-2-4-13)17-9-7-14(8-10-17)16-11-12-5-6-12/h1-2,12-14,16H,3-11H2
InChIKeyLPFBRLGERZQKEK-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.94
Rot. Bonds4

About cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (PubChem CID 113283403) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
PubChem CID113283403
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Namecyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1CC=CC1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H24N2O/c18-15(13-3-1-2-4-13)17-9-7-14(8-10-17)16-11-12-5-6-12/h1-2,12-14,16H,3-11H2
InChIKeyLPFBRLGERZQKEK-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483591
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119623859
[4-(cyclopropylmethylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 115307161
[4-(cyclopropylmethylamino)piperidin-1-yl]-piperidin-1-ylmethanone
CID 115307169
1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 119624305
(4-butylcyclohexyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624610
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 119623785
cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200728
[4-(cyclopropylmethylamino)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119623679
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 114146739

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (CID 113283403) is cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is O=C(C1CC=CC1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The InChIKey is LPFBRLGERZQKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-15(13-3-1-2-4-13)17-9-7-14(8-10-17)16-11-12-5-6-12/h1-2,12-14,16H,3-11H2.
What are the key properties of cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone has a molecular weight of 248.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 113283403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).