[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone

C18H29N5O — CID 50831570

IUPAC[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccnc(N3CCC(C)CC3)n2)CC1
InChIInChI=1S/C18H29N5O/c1-3-8-21-11-13-22(14-12-21)17(24)16-4-7-19-18(20-16)23-9-5-15(2)6-10-23/h4,7,15H,3,5-6,8-14H2,1-2H3
InChIKeyITMVHUSHWIADHS-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.88
Rot. Bonds4

About [2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone

[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 50831570) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone
PubChem CID50831570
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccnc(N3CCC(C)CC3)n2)CC1
InChIInChI=1S/C18H29N5O/c1-3-8-21-11-13-22(14-12-21)17(24)16-4-7-19-18(20-16)23-9-5-15(2)6-10-23/h4,7,15H,3,5-6,8-14H2,1-2H3
InChIKeyITMVHUSHWIADHS-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone (CID 50831570) is [2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2ccnc(N3CCC(C)CC3)n2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is ITMVHUSHWIADHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-3-8-21-11-13-22(14-12-21)17(24)16-4-7-19-18(20-16)23-9-5-15(2)6-10-23/h4,7,15H,3,5-6,8-14H2,1-2H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone?
[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 331.46 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 50831570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).