[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C18H29N5O — CID 155515923

IUPAC[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(c3cc(N(C)C)ncn3)CC2)CC1
InChIInChI=1S/C18H29N5O/c1-14-4-8-23(9-5-14)18(24)15-6-10-22(11-7-15)17-12-16(21(2)3)19-13-20-17/h12-15H,4-11H2,1-3H3
InChIKeyIKJLXPNJJDAMJD-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.02
Rot. Bonds3

About [1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 155515923) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is [1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID155515923
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(c3cc(N(C)C)ncn3)CC2)CC1
InChIInChI=1S/C18H29N5O/c1-14-4-8-23(9-5-14)18(24)15-6-10-22(11-7-15)17-12-16(21(2)3)19-13-20-17/h12-15H,4-11H2,1-3H3
InChIKeyIKJLXPNJJDAMJD-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 155515923) is [1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCN(c3cc(N(C)C)ncn3)CC2)CC1.
What is the InChIKey of [1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is IKJLXPNJJDAMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-14-4-8-23(9-5-14)18(24)15-6-10-22(11-7-15)17-12-16(21(2)3)19-13-20-17/h12-15H,4-11H2,1-3H3.
What are the key properties of [1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 331.46 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 155515923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).