4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide

C16H25N3O — CID 47120804

IUPAC4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C16H25N3O/c1-3-8-17-16(20)19-11-9-18(10-12-19)13-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeyWYGYDHCMWLYIPC-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.23
Rot. Bonds4

About 4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide

4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide (PubChem CID 47120804) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
PubChem CID47120804
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C16H25N3O/c1-3-8-17-16(20)19-11-9-18(10-12-19)13-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeyWYGYDHCMWLYIPC-UHFFFAOYSA-N
XLogP2.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138
N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 38159048
N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 6468013
N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 126450581
N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 17217595
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329
ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 38151040
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
(2,5-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642232
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide (CID 47120804) is 4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(Cc2ccccc2C)CC1.
What is the InChIKey of 4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is WYGYDHCMWLYIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-8-17-16(20)19-11-9-18(10-12-19)13-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,17,20).
What are the key properties of 4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide?
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 47120804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).