2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide

C14H24N4O — CID 103814722

IUPAC2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide
SMILESCn1ccc(CNC(=O)C(C)(C)N2CCNCC2)c1
InChIInChI=1S/C14H24N4O/c1-14(2,18-8-5-15-6-9-18)13(19)16-10-12-4-7-17(3)11-12/h4,7,11,15H,5-6,8-10H2,1-3H3,(H,16,19)
InChIKeyGCNZRZGSYNLIHF-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.33
Rot. Bonds4

About 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide

2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide (PubChem CID 103814722) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide
PubChem CID103814722
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide
SMILESCn1ccc(CNC(=O)C(C)(C)N2CCNCC2)c1
InChIInChI=1S/C14H24N4O/c1-14(2,18-8-5-15-6-9-18)13(19)16-10-12-4-7-17(3)11-12/h4,7,11,15H,5-6,8-10H2,1-3H3,(H,16,19)
InChIKeyGCNZRZGSYNLIHF-UHFFFAOYSA-N
XLogP0.33
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 83621902
2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 106509800
N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide
CID 82494322
5-[[(2-methyl-2-piperazin-1-ylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 80550567
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82283489
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 110782535
2-methyl-2-piperazin-1-yl-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391006
2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 80549972
2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814673
2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide
CID 80547453
N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103814714

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide (CID 103814722) is 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide is Cn1ccc(CNC(=O)C(C)(C)N2CCNCC2)c1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide?
The InChIKey is GCNZRZGSYNLIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,18-8-5-15-6-9-18)13(19)16-10-12-4-7-17(3)11-12/h4,7,11,15H,5-6,8-10H2,1-3H3,(H,16,19).
What are the key properties of 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide?
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 103814722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).