3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide

C21H31N5O — CID 97204759

IUPAC3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)CC2)c1
InChIInChI=1S/C21H31N5O/c1-16-5-4-6-20(13-16)26-11-9-25(10-12-26)8-7-21(27)22-17(2)14-19-15-18(3)23-24-19/h4-6,13,15,17H,7-12,14H2,1-3H3,(H,22,27)(H,23,24)/t17-/m0/s1
InChIKeyAAANSLMZDRNECE-KRWDZBQOSA-N
MW369.51 g/mol
LogP2.29
Rot. Bonds7

About 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide

3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide (PubChem CID 97204759) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide
PubChem CID97204759
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)CC2)c1
InChIInChI=1S/C21H31N5O/c1-16-5-4-6-20(13-16)26-11-9-25(10-12-26)8-7-21(27)22-17(2)14-19-15-18(3)23-24-19/h4-6,13,15,17H,7-12,14H2,1-3H3,(H,22,27)(H,23,24)/t17-/m0/s1
InChIKeyAAANSLMZDRNECE-KRWDZBQOSA-N
XLogP2.29
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
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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-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029431
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
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N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119524019
3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide?
The IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide (CID 97204759) is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide is Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)CC2)c1.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide?
The InChIKey is AAANSLMZDRNECE-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H31N5O/c1-16-5-4-6-20(13-16)26-11-9-25(10-12-26)8-7-21(27)22-17(2)14-19-15-18(3)23-24-19/h4-6,13,15,17H,7-12,14H2,1-3H3,(H,22,27)(H,23,24)/t17-/m0/s1.
What are the key properties of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide?
3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide is sourced from PubChem (CID 97204759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).