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

C13H22N4O — CID 115189153

IUPAC3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
SMILESCC(CC(=O)NCc1ccc[nH]1)N1CCNCC1
InChIInChI=1S/C13H22N4O/c1-11(17-7-5-14-6-8-17)9-13(18)16-10-12-3-2-4-15-12/h2-4,11,14-15H,5-10H2,1H3,(H,16,18)
InChIKeyOGOCFJINIIUOLU-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.31
Rot. Bonds5

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

3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide (PubChem CID 115189153) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
PubChem CID115189153
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
SMILESCC(CC(=O)NCc1ccc[nH]1)N1CCNCC1
InChIInChI=1S/C13H22N4O/c1-11(17-7-5-14-6-8-17)9-13(18)16-10-12-3-2-4-15-12/h2-4,11,14-15H,5-10H2,1H3,(H,16,18)
InChIKeyOGOCFJINIIUOLU-UHFFFAOYSA-N
XLogP0.31
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 115189200
N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 115255504
4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide
CID 115156710
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
3-piperazin-1-yl-N-pyridin-2-ylbutanamide
CID 115189124
3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide
CID 115189179
N-(4-bromophenyl)-3-piperazin-1-ylbutanamide
CID 84606772
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide
CID 60664312
3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one
CID 83890200
N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide
CID 115189158
ethyl N-(1H-pyrrol-2-ylmethyl)carbamate
CID 110374915

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide?
The IUPAC name of 3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide (CID 115189153) is 3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide.
What is the SMILES notation for 3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide?
The canonical SMILES for 3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide is CC(CC(=O)NCc1ccc[nH]1)N1CCNCC1.
What is the InChIKey of 3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide?
The InChIKey is OGOCFJINIIUOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(17-7-5-14-6-8-17)9-13(18)16-10-12-3-2-4-15-12/h2-4,11,14-15H,5-10H2,1H3,(H,16,18).
What are the key properties of 3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide?
3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide has a molecular weight of 250.35 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide is sourced from PubChem (CID 115189153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).