2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide

C13H22N4O — CID 115189236

IUPAC2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1cc[nH]c1)N1CCNCC1
InChIInChI=1S/C13H22N4O/c1-11(17-8-6-14-7-9-17)13(18)16-5-3-12-2-4-15-10-12/h2,4,10-11,14-15H,3,5-9H2,1H3,(H,16,18)
InChIKeyKVELOFQJZJXJIV-UHFFFAOYSA-N
MW250.35 g/mol
LogP-0.03
Rot. Bonds5

About 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide

2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide (PubChem CID 115189236) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
PubChem CID115189236
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1cc[nH]c1)N1CCNCC1
InChIInChI=1S/C13H22N4O/c1-11(17-8-6-14-7-9-17)13(18)16-5-3-12-2-4-15-10-12/h2,4,10-11,14-15H,3,5-9H2,1H3,(H,16,18)
InChIKeyKVELOFQJZJXJIV-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130632
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43566424
N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide
CID 82291687
2-(aminomethyl)-3-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115187573
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556
2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 63244626
N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide
CID 115159020
N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide
CID 83121763
N-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl chloride
CID 115194921
N-[4-(2-hydroxyethyl)phenyl]-2-piperazin-1-ylpropanamide
CID 61237892
N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine
CID 115255786

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The IUPAC name of 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide (CID 115189236) is 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide is CC(C(=O)NCCc1cc[nH]c1)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The InChIKey is KVELOFQJZJXJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(17-8-6-14-7-9-17)13(18)16-5-3-12-2-4-15-10-12/h2,4,10-11,14-15H,3,5-9H2,1H3,(H,16,18).
What are the key properties of 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide has a molecular weight of 250.35 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide is sourced from PubChem (CID 115189236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).