2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride

C9H16Cl2N4O — CID 141146320

IUPAC2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)N1CCNCC1c1cc[nH]c1
InChIInChI=1S/C9H14N4O.2ClH/c10-9(14)13-4-3-12-6-8(13)7-1-2-11-5-7;;/h1-2,5,8,11-12H,3-4,6H2,(H2,10,14);2*1H
InChIKeyYYNITMCYKWITLL-UHFFFAOYSA-N
MW267.16 g/mol
LogP0.88
Rot. Bonds1

About 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride

2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride (PubChem CID 141146320) has the molecular formula C9H16Cl2N4O and a molecular weight of 267.16 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride
PubChem CID141146320
Molecular FormulaC9H16Cl2N4O
Molecular Weight267.16 g/mol
Exact Mass266.07
IUPAC Name2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)N1CCNCC1c1cc[nH]c1
InChIInChI=1S/C9H14N4O.2ClH/c10-9(14)13-4-3-12-6-8(13)7-1-2-11-5-7;;/h1-2,5,8,11-12H,3-4,6H2,(H2,10,14);2*1H
InChIKeyYYNITMCYKWITLL-UHFFFAOYSA-N
XLogP0.88
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide
CID 141146311
2-(2-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 90241540
2-phenylpiperazine-1-carbonyl chloride
CID 154387784
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
(2R)-2-amino-1-[(2S)-2-phenylpiperazin-1-yl]-3-sulfanylpropan-1-one
CID 142251607
1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 110257792
1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one
CID 116855920
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone
CID 125020826
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride?
The IUPAC name of 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride (CID 141146320) is 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride?
The canonical SMILES for 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride is Cl.Cl.NC(=O)N1CCNCC1c1cc[nH]c1.
What is the InChIKey of 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride?
The InChIKey is YYNITMCYKWITLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O.2ClH/c10-9(14)13-4-3-12-6-8(13)7-1-2-11-5-7;;/h1-2,5,8,11-12H,3-4,6H2,(H2,10,14);2*1H.
What are the key properties of 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride?
2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride has a molecular weight of 267.16 g/mol, XLogP of 0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 141146320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).