[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone

C18H29N5O — CID 53102033

IUPAC[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)C2CCCN(c3nccc(C)n3)C2)CC1
InChIInChI=1S/C18H29N5O/c1-3-8-21-10-12-22(13-11-21)17(24)16-5-4-9-23(14-16)18-19-7-6-15(2)20-18/h6-7,16H,3-5,8-14H2,1-2H3
InChIKeyZPNBQRWUMIPMHJ-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.56
Rot. Bonds4

About [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone

[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 53102033) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone
PubChem CID53102033
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)C2CCCN(c3nccc(C)n3)C2)CC1
InChIInChI=1S/C18H29N5O/c1-3-8-21-10-12-22(13-11-21)17(24)16-5-4-9-23(14-16)18-19-7-6-15(2)20-18/h6-7,16H,3-5,8-14H2,1-2H3
InChIKeyZPNBQRWUMIPMHJ-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone (CID 53102033) is [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)C2CCCN(c3nccc(C)n3)C2)CC1.
What is the InChIKey of [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is ZPNBQRWUMIPMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-3-8-21-10-12-22(13-11-21)17(24)16-5-4-9-23(14-16)18-19-7-6-15(2)20-18/h6-7,16H,3-5,8-14H2,1-2H3.
What are the key properties of [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone?
[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 331.46 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 53102033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).