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

C16H25N3O — CID 113103138

IUPACN-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C16H25N3O/c1-3-8-18-9-11-19(12-10-18)16(20)17-13-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeyWDWKYHZDCVNHQW-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.23
Rot. Bonds4

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

N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide (PubChem CID 113103138) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
PubChem CID113103138
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C16H25N3O/c1-3-8-18-9-11-19(12-10-18)16(20)17-13-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeyWDWKYHZDCVNHQW-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]piperidine-1-carboxamide
CID 108897154
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804
4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 87000001
3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 109017626
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251
N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 38159048
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878
4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106748
4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106761
3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108960856

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide (CID 113103138) is N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide is CCCN1CCN(C(=O)NCc2ccccc2C)CC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide?
The InChIKey is WDWKYHZDCVNHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-8-18-9-11-19(12-10-18)16(20)17-13-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,17,20).
What are the key properties of N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide?
N-[(2-methylphenyl)methyl]-4-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 N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide is sourced from PubChem (CID 113103138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).