3-(4-methylpiperazin-1-yl)-N-phenylpropanamide

C14H21N3O — CID 719539

IUPAC3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
SMILESCN1CCN(CCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-16-9-11-17(12-10-16)8-7-14(18)15-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,15,18)
InChIKeyCRZCPGRJGKPAQX-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.26
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-N-phenylpropanamide

3-(4-methylpiperazin-1-yl)-N-phenylpropanamide (PubChem CID 719539) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
PubChem CID719539
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
SMILESCN1CCN(CCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-16-9-11-17(12-10-16)8-7-14(18)15-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,15,18)
InChIKeyCRZCPGRJGKPAQX-UHFFFAOYSA-N
XLogP1.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 574794
5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide
CID 118735725
tert-butyl 4-(3-anilino-3-oxopropyl)piperazine-1-carboxylate
CID 52579913
3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide
CID 86928095
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
CID 110645616
3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43397416
3-(4-methylpiperazin-1-yl)-N-[4-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]propanamide
CID 10578002
N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28744833
3-(4-methylpiperazin-1-yl)-N-[2-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]propanamide
CID 10697396
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-phenylpropanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-phenylpropanamide (CID 719539) is 3-(4-methylpiperazin-1-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-phenylpropanamide is CN1CCN(CCC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-phenylpropanamide?
The InChIKey is CRZCPGRJGKPAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-9-11-17(12-10-16)8-7-14(18)15-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,15,18).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-phenylpropanamide?
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 719539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).