N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide

C11H18N4O — CID 115171585

IUPACN-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide
SMILESCN(Cc1cc[nH]c1)C(=O)N1CCNCC1
InChIInChI=1S/C11H18N4O/c1-14(9-10-2-3-13-8-10)11(16)15-6-4-12-5-7-15/h2-3,8,12-13H,4-7,9H2,1H3
InChIKeyGYUHWBSVOOVTLP-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.47
Rot. Bonds2

About N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide

N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 115171585) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide
PubChem CID115171585
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide
SMILESCN(Cc1cc[nH]c1)C(=O)N1CCNCC1
InChIInChI=1S/C11H18N4O/c1-14(9-10-2-3-13-8-10)11(16)15-6-4-12-5-7-15/h2-3,8,12-13H,4-7,9H2,1H3
InChIKeyGYUHWBSVOOVTLP-UHFFFAOYSA-N
XLogP0.47
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[methyl(piperazine-1-carbonyl)amino]methyl]benzoic acid
CID 61405190
N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide
CID 28802293
N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide
CID 61438456
N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide
CID 115171586
1-[methyl(1H-pyrrol-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115181921
N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide
CID 82291687
2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110815904
2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115189236
1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769100
3-[methyl(1H-pyrrol-3-ylmethyl)carbamoyl]benzoic acid
CID 115165501
4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61187481
N-methyl-N-(4-propylphenyl)piperazine-1-carboxamide
CID 115171520

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide (CID 115171585) is N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide is CN(Cc1cc[nH]c1)C(=O)N1CCNCC1.
What is the InChIKey of N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is GYUHWBSVOOVTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14(9-10-2-3-13-8-10)11(16)15-6-4-12-5-7-15/h2-3,8,12-13H,4-7,9H2,1H3.
What are the key properties of N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide?
N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 115171585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).