2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide

C12H20N4O — CID 115189060

IUPAC2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide
SMILESCC(CN1CCNCC1)C(=O)Nc1ccc[nH]1
InChIInChI=1S/C12H20N4O/c1-10(9-16-7-5-13-6-8-16)12(17)15-11-3-2-4-14-11/h2-4,10,13-14H,5-9H2,1H3,(H,15,17)
InChIKeyPHGLFBZJWXNROC-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.49
Rot. Bonds4

About 2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide

2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide (PubChem CID 115189060) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide
PubChem CID115189060
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide
SMILESCC(CN1CCNCC1)C(=O)Nc1ccc[nH]1
InChIInChI=1S/C12H20N4O/c1-10(9-16-7-5-13-6-8-16)12(17)15-11-3-2-4-14-11/h2-4,10,13-14H,5-9H2,1H3,(H,15,17)
InChIKeyPHGLFBZJWXNROC-UHFFFAOYSA-N
XLogP0.49
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
CID 115189094
1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924027
2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
CID 82262999
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266153
N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115189078
1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82264142
1-(5-chloro-2-methylsulfanylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82264911
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
2-hydroxy-N-(1H-pyrrol-2-yl)acetamide
CID 115139588
1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266866

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide?
The IUPAC name of 2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide (CID 115189060) is 2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide?
The canonical SMILES for 2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide is CC(CN1CCNCC1)C(=O)Nc1ccc[nH]1.
What is the InChIKey of 2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide?
The InChIKey is PHGLFBZJWXNROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(9-16-7-5-13-6-8-16)12(17)15-11-3-2-4-14-11/h2-4,10,13-14H,5-9H2,1H3,(H,15,17).
What are the key properties of 2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide?
2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide has a molecular weight of 236.32 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide is sourced from PubChem (CID 115189060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).