N-(1H-pyrrol-3-yl)piperazine-1-carboxamide

C9H14N4O — CID 82281793

IUPACN-(1H-pyrrol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cc[nH]c1)N1CCNCC1
InChIInChI=1S/C9H14N4O/c14-9(12-8-1-2-11-7-8)13-5-3-10-4-6-13/h1-2,7,10-11H,3-6H2,(H,12,14)
InChIKeyGNOFLLYRPWWASX-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.45
Rot. Bonds1

About N-(1H-pyrrol-3-yl)piperazine-1-carboxamide

N-(1H-pyrrol-3-yl)piperazine-1-carboxamide (PubChem CID 82281793) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(1H-pyrrol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrrol-3-yl)piperazine-1-carboxamide
PubChem CID82281793
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(1H-pyrrol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cc[nH]c1)N1CCNCC1
InChIInChI=1S/C9H14N4O/c14-9(12-8-1-2-11-7-8)13-5-3-10-4-6-13/h1-2,7,10-11H,3-6H2,(H,12,14)
InChIKeyGNOFLLYRPWWASX-UHFFFAOYSA-N
XLogP0.45
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide
CID 82283727
N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride
CID 165429741
N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide
CID 82291687
N-phenyl-1,4-diazepane-1-carboxamide;hydrochloride
CID 42886604
N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22614387
N-[4-[(4-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride
CID 158193978
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-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 79160722
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(1H-pyrrol-3-yl)piperazine-1-carboxamide (CID 82281793) is N-(1H-pyrrol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1H-pyrrol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(1H-pyrrol-3-yl)piperazine-1-carboxamide is O=C(Nc1cc[nH]c1)N1CCNCC1.
What is the InChIKey of N-(1H-pyrrol-3-yl)piperazine-1-carboxamide?
The InChIKey is GNOFLLYRPWWASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9(12-8-1-2-11-7-8)13-5-3-10-4-6-13/h1-2,7,10-11H,3-6H2,(H,12,14).
What are the key properties of N-(1H-pyrrol-3-yl)piperazine-1-carboxamide?
N-(1H-pyrrol-3-yl)piperazine-1-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 82281793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).