cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone

C18H26N2O — CID 155205280

IUPACcyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone
SMILESCc1ccc(N2CCC(N(C)C)CC2)c(C(=O)C2CC2)c1
InChIInChI=1S/C18H26N2O/c1-13-4-7-17(16(12-13)18(21)14-5-6-14)20-10-8-15(9-11-20)19(2)3/h4,7,12,14-15H,5-6,8-11H2,1-3H3
InChIKeySEMHANZIOWBKSH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.12
Rot. Bonds4

About cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone

cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone (PubChem CID 155205280) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone
PubChem CID155205280
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Namecyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone
SMILESCc1ccc(N2CCC(N(C)C)CC2)c(C(=O)C2CC2)c1
InChIInChI=1S/C18H26N2O/c1-13-4-7-17(16(12-13)18(21)14-5-6-14)20-10-8-15(9-11-20)19(2)3/h4,7,12,14-15H,5-6,8-11H2,1-3H3
InChIKeySEMHANZIOWBKSH-UHFFFAOYSA-N
XLogP3.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone
CID 138530566
1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 139516178
1-(2-ethynyl-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 155709362
ethane;1-(2-ethynyl-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 155709361
2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid
CID 55082978
N,N-dimethyl-1-(4-methyl-2-nitrophenyl)piperidin-4-amine
CID 134485466
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
CID 117309750
1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine
CID 145007823
2-methyl-3-[methyl-(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid
CID 122111662
cyclopropyl-(1,5-dimethylindol-3-yl)methanone
CID 82278819
1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one
CID 70992327
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone?
The IUPAC name of cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone (CID 155205280) is cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone.
What is the SMILES notation for cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone?
The canonical SMILES for cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone is Cc1ccc(N2CCC(N(C)C)CC2)c(C(=O)C2CC2)c1.
What is the InChIKey of cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone?
The InChIKey is SEMHANZIOWBKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-4-7-17(16(12-13)18(21)14-5-6-14)20-10-8-15(9-11-20)19(2)3/h4,7,12,14-15H,5-6,8-11H2,1-3H3.
What are the key properties of cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone?
cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone has a molecular weight of 286.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone is sourced from PubChem (CID 155205280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).