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

C20H34N4O — CID 119667631

IUPACN-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCCCCC(CN)NC(=O)CCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C20H34N4O/c1-3-4-7-18(16-21)22-20(25)9-10-23-11-13-24(14-12-23)19-8-5-6-17(2)15-19/h5-6,8,15,18H,3-4,7,9-14,16,21H2,1-2H3,(H,22,25)
InChIKeyUGMBLQSTIMFRIE-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.14
Rot. Bonds9

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

N-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 119667631) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
PubChem CID119667631
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC NameN-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCCCCC(CN)NC(=O)CCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C20H34N4O/c1-3-4-7-18(16-21)22-20(25)9-10-23-11-13-24(14-12-23)19-8-5-6-17(2)15-19/h5-6,8,15,18H,3-4,7,9-14,16,21H2,1-2H3,(H,22,25)
InChIKeyUGMBLQSTIMFRIE-UHFFFAOYSA-N
XLogP2.14
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoylamino]propanoic acid
CID 119943282
N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119665105
N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119524019
2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
CID 81080109
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide
CID 55662778
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029408
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide
CID 97204759

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (CID 119667631) is N-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is CCCCC(CN)NC(=O)CCN1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is UGMBLQSTIMFRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-3-4-7-18(16-21)22-20(25)9-10-23-11-13-24(14-12-23)19-8-5-6-17(2)15-19/h5-6,8,15,18H,3-4,7,9-14,16,21H2,1-2H3,(H,22,25).
What are the key properties of N-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
N-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 346.52 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 119667631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).