(4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone

C20H31NO — CID 90987266

IUPAC(4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
SMILESCCCCc1ccc(C(=O)N2CCC(CC(C)C)CC2)cc1
InChIInChI=1S/C20H31NO/c1-4-5-6-17-7-9-19(10-8-17)20(22)21-13-11-18(12-14-21)15-16(2)3/h7-10,16,18H,4-6,11-15H2,1-3H3
InChIKeyRWESPCTUECLTLP-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.93
Rot. Bonds6

About (4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone

(4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone (PubChem CID 90987266) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is (4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
PubChem CID90987266
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name(4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
SMILESCCCCc1ccc(C(=O)N2CCC(CC(C)C)CC2)cc1
InChIInChI=1S/C20H31NO/c1-4-5-6-17-7-9-19(10-8-17)20(22)21-13-11-18(12-14-21)15-16(2)3/h7-10,16,18H,4-6,11-15H2,1-3H3
InChIKeyRWESPCTUECLTLP-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
2-[1-(4-butylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681152
1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799985
4-(4-butylbenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813413
methyl 4-(4-butylbenzoyl)piperazine-1-carboxylate
CID 110803251
[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119546057
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86977180
N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42881072
N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470537
1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one
CID 171554697
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
(4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone
CID 155531741

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone?
The IUPAC name of (4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone (CID 90987266) is (4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone is CCCCc1ccc(C(=O)N2CCC(CC(C)C)CC2)cc1.
What is the InChIKey of (4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone?
The InChIKey is RWESPCTUECLTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-4-5-6-17-7-9-19(10-8-17)20(22)21-13-11-18(12-14-21)15-16(2)3/h7-10,16,18H,4-6,11-15H2,1-3H3.
What are the key properties of (4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone?
(4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone has a molecular weight of 301.47 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 90987266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).