(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone

C20H24N4O — CID 8934171

IUPAC(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
SMILESO=C(c1cccnc1N1CCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N4O/c25-20(18-9-6-10-21-19(18)23-11-4-5-12-23)24-15-13-22(14-16-24)17-7-2-1-3-8-17/h1-3,6-10H,4-5,11-16H2
InChIKeyWBWCLBHAALFEJS-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.64
Rot. Bonds3

About (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone

(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone (PubChem CID 8934171) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
PubChem CID8934171
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
SMILESO=C(c1cccnc1N1CCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N4O/c25-20(18-9-6-10-21-19(18)23-11-4-5-12-23)24-15-13-22(14-16-24)17-7-2-1-3-8-17/h1-3,6-10H,4-5,11-16H2
InChIKeyWBWCLBHAALFEJS-UHFFFAOYSA-N
XLogP2.64
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone (CID 8934171) is (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone is O=C(c1cccnc1N1CCCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone?
The InChIKey is WBWCLBHAALFEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(18-9-6-10-21-19(18)23-11-4-5-12-23)24-15-13-22(14-16-24)17-7-2-1-3-8-17/h1-3,6-10H,4-5,11-16H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone?
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone has a molecular weight of 336.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 8934171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).