N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one

C29H42N2O2 — CID 160992069

IUPACN,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one
SMILESCC(C)c1ccc(C(=O)N(C)C)cc1.CCC(=O)N1CCC(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C17H25NO.C12H17NO/c1-4-17(19)18-11-9-16(10-12-18)15-7-5-14(6-8-15)13(2)3;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4/h5-8,13,16H,4,9-12H2,1-3H3;5-9H,1-4H3
InChIKeyTUTLAJPJICTOOG-UHFFFAOYSA-N
MW450.67 g/mol
LogP6.44
Rot. Bonds5

About N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one

N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one (PubChem CID 160992069) has the molecular formula C29H42N2O2 and a molecular weight of 450.67 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one
PubChem CID160992069
Molecular FormulaC29H42N2O2
Molecular Weight450.67 g/mol
Exact Mass450.32
IUPAC NameN,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one
SMILESCC(C)c1ccc(C(=O)N(C)C)cc1.CCC(=O)N1CCC(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C17H25NO.C12H17NO/c1-4-17(19)18-11-9-16(10-12-18)15-7-5-14(6-8-15)13(2)3;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4/h5-8,13,16H,4,9-12H2,1-3H3;5-9H,1-4H3
InChIKeyTUTLAJPJICTOOG-UHFFFAOYSA-N
XLogP6.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.67
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine
CID 176679187
4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 68954274
4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide
CID 142415331
methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864343
1-[4-(4-bromophenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 71170432
N,N-dimethyl-6-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 133366737
N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide
CID 67774408
4-(4-cyclopentylphenoxy)-N,N-dimethylbenzamide
CID 142415037
2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid
CID 154252055
3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one
CID 119700717
N-[2-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 60712509
1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one
CID 171554333

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one?
The IUPAC name of N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one (CID 160992069) is N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one is CC(C)c1ccc(C(=O)N(C)C)cc1.CCC(=O)N1CCC(c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one?
The InChIKey is TUTLAJPJICTOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO.C12H17NO/c1-4-17(19)18-11-9-16(10-12-18)15-7-5-14(6-8-15)13(2)3;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4/h5-8,13,16H,4,9-12H2,1-3H3;5-9H,1-4H3.
What are the key properties of N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one?
N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one has a molecular weight of 450.67 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 160992069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).