[1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone

C24H36N2O — CID 146076594

IUPAC[1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2(C(=O)N3CCC(CCCN4CCCC4)CC3)CCC2)cc1
InChIInChI=1S/C24H36N2O/c1-20-7-9-22(10-8-20)24(13-5-14-24)23(27)26-18-11-21(12-19-26)6-4-17-25-15-2-3-16-25/h7-10,21H,2-6,11-19H2,1H3
InChIKeySYJJTEOBEYLKFT-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.53
Rot. Bonds6

About [1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone

[1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone (PubChem CID 146076594) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is [1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone
PubChem CID146076594
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name[1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2(C(=O)N3CCC(CCCN4CCCC4)CC3)CCC2)cc1
InChIInChI=1S/C24H36N2O/c1-20-7-9-22(10-8-20)24(13-5-14-24)23(27)26-18-11-21(12-19-26)6-4-17-25-15-2-3-16-25/h7-10,21H,2-6,11-19H2,1H3
InChIKeySYJJTEOBEYLKFT-UHFFFAOYSA-N
XLogP4.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
CID 146883856
(4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone
CID 68576312
1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone
CID 59019691
2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
CID 119177843
[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 119623001
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
1-[1-(4-methylphenyl)cyclobutanecarbonyl]-N-phenylpiperidine-3-carboxamide
CID 142125162
piperidin-1-yl-[4-[4-(3-pyrrolidin-1-ylpropylsulfanyl)phenyl]oxan-4-yl]methanone
CID 68579012
[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546090
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
1-[1-(4-fluorophenyl)cyclobutanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810106
(1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate
CID 23295066

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone (CID 146076594) is [1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone is Cc1ccc(C2(C(=O)N3CCC(CCCN4CCCC4)CC3)CCC2)cc1.
What is the InChIKey of [1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone?
The InChIKey is SYJJTEOBEYLKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-20-7-9-22(10-8-20)24(13-5-14-24)23(27)26-18-11-21(12-19-26)6-4-17-25-15-2-3-16-25/h7-10,21H,2-6,11-19H2,1H3.
What are the key properties of [1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone?
[1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone has a molecular weight of 368.57 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 146076594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).