(2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone

C16H19N3O — CID 76587190

IUPAC(2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCNCC1Cc1ccccc1
InChIInChI=1S/C16H19N3O/c20-16(15-7-4-8-18-15)19-10-9-17-12-14(19)11-13-5-2-1-3-6-13/h1-8,14,17-18H,9-12H2
InChIKeyJUZXOYZYJKKCKS-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.67
Rot. Bonds3

About (2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone

(2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone (PubChem CID 76587190) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
PubChem CID76587190
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCNCC1Cc1ccccc1
InChIInChI=1S/C16H19N3O/c20-16(15-7-4-8-18-15)19-10-9-17-12-14(19)11-13-5-2-1-3-6-13/h1-8,14,17-18H,9-12H2
InChIKeyJUZXOYZYJKKCKS-UHFFFAOYSA-N
XLogP1.67
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone
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2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one
CID 110480760
ethyl 2-benzylpiperazine-1-carboxylate
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prop-2-enyl 2-benzylpiperazine-1-carboxylate
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[(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone
CID 59325062
[(2R)-2-benzylpiperazin-1-yl]-(5-methyl-1,2-diphenylpyrrol-3-yl)methanone
CID 59324752
3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one
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[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone (CID 76587190) is (2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCNCC1Cc1ccccc1.
What is the InChIKey of (2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is JUZXOYZYJKKCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(15-7-4-8-18-15)19-10-9-17-12-14(19)11-13-5-2-1-3-6-13/h1-8,14,17-18H,9-12H2.
What are the key properties of (2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone?
(2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 76587190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).