N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide

C14H21N3O — CID 82086575

IUPACN-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
SMILESCc1ccc(CCNC(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H21N3O/c1-12-2-4-13(5-3-12)6-7-16-14(18)17-10-8-15-9-11-17/h2-5,15H,6-11H2,1H3,(H,16,18)
InChIKeyVNFSPIMRFNEMAM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.15
Rot. Bonds3

About N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide

N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 82086575) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
PubChem CID82086575
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
SMILESCc1ccc(CCNC(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H21N3O/c1-12-2-4-13(5-3-12)6-7-16-14(18)17-10-8-15-9-11-17/h2-5,15H,6-11H2,1H3,(H,16,18)
InChIKeyVNFSPIMRFNEMAM-UHFFFAOYSA-N
XLogP1.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 108891161
N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide
CID 70476993
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 82086276
N-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
CID 138053127
N-[2-(3-bromophenyl)ethyl]piperazine-1-carboxamide
CID 82095179
3-(4-methylphenyl)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 81426214
N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753
N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide
CID 134452395
N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 108902313
N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide
CID 115171594

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide (CID 82086575) is N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide is Cc1ccc(CCNC(=O)N2CCNCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is VNFSPIMRFNEMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12-2-4-13(5-3-12)6-7-16-14(18)17-10-8-15-9-11-17/h2-5,15H,6-11H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide?
N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 82086575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).