N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

C18H30N4O — CID 119524019

IUPACN-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)NC(C)(C)CN)CC2)c1
InChIInChI=1S/C18H30N4O/c1-15-5-4-6-16(13-15)22-11-9-21(10-12-22)8-7-17(23)20-18(2,3)14-19/h4-6,13H,7-12,14,19H2,1-3H3,(H,20,23)
InChIKeyUSRBQUUNEQLBAH-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.36
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 119524019) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
PubChem CID119524019
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)NC(C)(C)CN)CC2)c1
InChIInChI=1S/C18H30N4O/c1-15-5-4-6-16(13-15)22-11-9-21(10-12-22)8-7-17(23)20-18(2,3)14-19/h4-6,13H,7-12,14,19H2,1-3H3,(H,20,23)
InChIKeyUSRBQUUNEQLBAH-UHFFFAOYSA-N
XLogP1.36
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol
CID 64818966
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
(2S)-2-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoylamino]propanoic acid
CID 119943282
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
N-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119667631
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029431
N-(6-amino-3-pyridinyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119516064
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405
N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029408

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (CID 119524019) is N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is Cc1cccc(N2CCN(CCC(=O)NC(C)(C)CN)CC2)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is USRBQUUNEQLBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-15-5-4-6-16(13-15)22-11-9-21(10-12-22)8-7-17(23)20-18(2,3)14-19/h4-6,13H,7-12,14,19H2,1-3H3,(H,20,23).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 318.46 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 119524019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).