(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

C19H23N5O — CID 109297509

IUPAC(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESO=C(c1ccnc(N2CCCC2)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H23N5O/c25-18(17-8-9-20-19(21-17)24-10-4-5-11-24)23-14-12-22(13-15-23)16-6-2-1-3-7-16/h1-3,6-9H,4-5,10-15H2
InChIKeyPLXFPDLHQHILPG-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.04
Rot. Bonds3

About (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 109297509) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
PubChem CID109297509
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESO=C(c1ccnc(N2CCCC2)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H23N5O/c25-18(17-8-9-20-19(21-17)24-10-4-5-11-24)23-14-12-22(13-15-23)16-6-2-1-3-7-16/h1-3,6-9H,4-5,10-15H2
InChIKeyPLXFPDLHQHILPG-UHFFFAOYSA-N
XLogP2.04
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302856
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109298280
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297521
piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109298462
[2-(azepan-1-yl)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310400
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331556
(4-phenylpiperazin-1-yl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 84573598
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
(2-phenyltriazol-4-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344085
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297729
[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310659

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone (CID 109297509) is (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone is O=C(c1ccnc(N2CCCC2)n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is PLXFPDLHQHILPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-18(17-8-9-20-19(21-17)24-10-4-5-11-24)23-14-12-22(13-15-23)16-6-2-1-3-7-16/h1-3,6-9H,4-5,10-15H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 337.43 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 109297509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).