(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone

C10H15N3O — CID 116919723

IUPAC(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone
SMILESCN1CCNCC1C(=O)c1cc[nH]c1
InChIInChI=1S/C10H15N3O/c1-13-5-4-12-7-9(13)10(14)8-2-3-11-6-8/h2-3,6,9,11-12H,4-5,7H2,1H3
InChIKeyUHAODXORONATAZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.10
Rot. Bonds2

About (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone

(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone (PubChem CID 116919723) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone
PubChem CID116919723
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone
SMILESCN1CCNCC1C(=O)c1cc[nH]c1
InChIInChI=1S/C10H15N3O/c1-13-5-4-12-7-9(13)10(14)8-2-3-11-6-8/h2-3,6,9,11-12H,4-5,7H2,1H3
InChIKeyUHAODXORONATAZ-UHFFFAOYSA-N
XLogP0.10
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919681
(4-ethylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919674
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919749
1-methyl-N-pyridin-4-ylpiperazine-2-carboxamide
CID 115177729
1,3-benzoxazol-6-yl-(1-methylpiperazin-2-yl)methanone
CID 116919736
(2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride
CID 174377546
1-methylpiperazine-2-carboxylic acid;hydrochloride
CID 91989357
ethane;1-(1-methylpiperazin-2-yl)ethanone
CID 142036342
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919686
1-methylpiperazine-2-carboxamide;dihydrochloride
CID 23145861
4-[(1-methylpiperazin-2-yl)methyl]benzoic acid
CID 18440347
4-(1-methylpiperazin-2-yl)benzoic acid
CID 116989147

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone (CID 116919723) is (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone is CN1CCNCC1C(=O)c1cc[nH]c1.
What is the InChIKey of (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is UHAODXORONATAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-5-4-12-7-9(13)10(14)8-2-3-11-6-8/h2-3,6,9,11-12H,4-5,7H2,1H3.
What are the key properties of (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone?
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone has a molecular weight of 193.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 116919723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).