N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide

C22H29N3O — CID 113110099

IUPACN-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(CCCc3ccccc3)CC2)cc1C
InChIInChI=1S/C22H29N3O/c1-18-10-11-21(17-19(18)2)23-22(26)25-15-13-24(14-16-25)12-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3,(H,23,26)
InChIKeyBOFMXKHKHLXTQJ-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.09
Rot. Bonds5

About N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide

N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 113110099) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID113110099
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(CCCc3ccccc3)CC2)cc1C
InChIInChI=1S/C22H29N3O/c1-18-10-11-21(17-19(18)2)23-22(26)25-15-13-24(14-16-25)12-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3,(H,23,26)
InChIKeyBOFMXKHKHLXTQJ-UHFFFAOYSA-N
XLogP4.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115
4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110107
N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110145
N-(3,4-dimethylphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109251
N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 6470753
N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110111
4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108846
4-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113107729
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886985
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110160

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide (CID 113110099) is N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(CCCc3ccccc3)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is BOFMXKHKHLXTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-18-10-11-21(17-19(18)2)23-22(26)25-15-13-24(14-16-25)12-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3,(H,23,26).
What are the key properties of N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).