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

C14H24N4O — CID 115189200

IUPAC3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
SMILESCC(C)(CC(=O)NCc1ccc[nH]1)N1CCNCC1
InChIInChI=1S/C14H24N4O/c1-14(2,18-8-6-15-7-9-18)10-13(19)17-11-12-4-3-5-16-12/h3-5,15-16H,6-11H2,1-2H3,(H,17,19)
InChIKeyGNTHMRORWKKMNT-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.70
Rot. Bonds5

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

3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide (PubChem CID 115189200) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
PubChem CID115189200
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
SMILESCC(C)(CC(=O)NCc1ccc[nH]1)N1CCNCC1
InChIInChI=1S/C14H24N4O/c1-14(2,18-8-6-15-7-9-18)10-13(19)17-11-12-4-3-5-16-12/h3-5,15-16H,6-11H2,1-2H3,(H,17,19)
InChIKeyGNTHMRORWKKMNT-UHFFFAOYSA-N
XLogP0.70
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
CID 115255841
3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 115189153
1-[2-methyl-4-(1H-pyrrol-2-yl)butan-2-yl]piperazine
CID 116931984
3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine
CID 115255592
N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide
CID 115189208
3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide
CID 115189180
2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 115157893
N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
CID 115167176
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
1-(2-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-1-one
CID 116924095
ethyl N-(1H-pyrrol-2-ylmethyl)carbamate
CID 110374915
4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide
CID 115156710

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide?
The IUPAC name of 3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide (CID 115189200) is 3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide.
What is the SMILES notation for 3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide?
The canonical SMILES for 3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide is CC(C)(CC(=O)NCc1ccc[nH]1)N1CCNCC1.
What is the InChIKey of 3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide?
The InChIKey is GNTHMRORWKKMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,18-8-6-15-7-9-18)10-13(19)17-11-12-4-3-5-16-12/h3-5,15-16H,6-11H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide?
3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide has a molecular weight of 264.37 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide is sourced from PubChem (CID 115189200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).