2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide

C18H30N4O — CID 119901426

IUPAC2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C18H30N4O/c1-15(12-19-2)18(23)20-13-16-4-6-17(7-5-16)14-22-10-8-21(3)9-11-22/h4-7,15,19H,8-14H2,1-3H3,(H,20,23)
InChIKeyVMGGWPBMWVQNLN-UHFFFAOYSA-N
MW318.47 g/mol
LogP0.91
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide

2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 119901426) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID119901426
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C18H30N4O/c1-15(12-19-2)18(23)20-13-16-4-6-17(7-5-16)14-22-10-8-21(3)9-11-22/h4-7,15,19H,8-14H2,1-3H3,(H,20,23)
InChIKeyVMGGWPBMWVQNLN-UHFFFAOYSA-N
XLogP0.91
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
1-Benzyl-4-(methylamino)piperidine-4-carboxamide
CID 96411
n,n'-Dibenzylmalonamide
CID 735256
1-Benzyl-4-(propylamino)piperidine-4-carboxamide
CID 70574
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457
1-Piperidineacetamide, 4-methyl-N-(phenylmethyl)-
CID 972703
N-Benzyl-3-(4-phenyl-1,2,3,6-tetrahydropyridino)-propionamide
CID 285516
1-Benzyl-4-(ethylamino)piperidine-4-carboxamide
CID 70567
Propanamide, 2-methyl-N-(phenylmethyl)-
CID 94895
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
(S)-2-Amino-4-dibenzylamino-1-piperidin-1-yl-butan-1-one
CID 11474019
N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide
CID 109018769

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide (CID 119901426) is 2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide is CNCC(C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is VMGGWPBMWVQNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-15(12-19-2)18(23)20-13-16-4-6-17(7-5-16)14-22-10-8-21(3)9-11-22/h4-7,15,19H,8-14H2,1-3H3,(H,20,23).
What are the key properties of 2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide?
2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 318.47 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 119901426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).