N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide

C10H16N4O — CID 82283727

IUPACN-(1-methylpyrrol-3-yl)piperazine-1-carboxamide
SMILESCn1ccc(NC(=O)N2CCNCC2)c1
InChIInChI=1S/C10H16N4O/c1-13-5-2-9(8-13)12-10(15)14-6-3-11-4-7-14/h2,5,8,11H,3-4,6-7H2,1H3,(H,12,15)
InChIKeyYAALSNPBYZWBOB-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.46
Rot. Bonds1

About N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide

N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide (PubChem CID 82283727) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrrol-3-yl)piperazine-1-carboxamide
PubChem CID82283727
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC NameN-(1-methylpyrrol-3-yl)piperazine-1-carboxamide
SMILESCn1ccc(NC(=O)N2CCNCC2)c1
InChIInChI=1S/C10H16N4O/c1-13-5-2-9(8-13)12-10(15)14-6-3-11-4-7-14/h2,5,8,11H,3-4,6-7H2,1H3,(H,12,15)
InChIKeyYAALSNPBYZWBOB-UHFFFAOYSA-N
XLogP0.46
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrrol-3-yl)piperazine-1-carboxamide
CID 82281793
N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride
CID 165429741
2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82283489
N-phenyl-1,4-diazepane-1-carboxamide;hydrochloride
CID 42886604
N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide
CID 82094622
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide
CID 95481288
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22614387
N-[4-[(4-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride
CID 158193978
N-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 82090590
N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 108811781

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide (CID 82283727) is N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide is Cn1ccc(NC(=O)N2CCNCC2)c1.
What is the InChIKey of N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide?
The InChIKey is YAALSNPBYZWBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-5-2-9(8-13)12-10(15)14-6-3-11-4-7-14/h2,5,8,11H,3-4,6-7H2,1H3,(H,12,15).
What are the key properties of N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide?
N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide has a molecular weight of 208.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 82283727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).