1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide

C15H25N5O — CID 53165524

IUPAC1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2cncnc2N(C)C)CC1
InChIInChI=1S/C15H25N5O/c1-4-7-17-15(21)12-5-8-20(9-6-12)13-10-16-11-18-14(13)19(2)3/h10-12H,4-9H2,1-3H3,(H,17,21)
InChIKeyZZHYFRHSECTPKI-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.29
Rot. Bonds5

About 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide

1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide (PubChem CID 53165524) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide
PubChem CID53165524
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2cncnc2N(C)C)CC1
InChIInChI=1S/C15H25N5O/c1-4-7-17-15(21)12-5-8-20(9-6-12)13-10-16-11-18-14(13)19(2)3/h10-12H,4-9H2,1-3H3,(H,17,21)
InChIKeyZZHYFRHSECTPKI-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide (CID 53165524) is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(c2cncnc2N(C)C)CC1.
What is the InChIKey of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide?
The InChIKey is ZZHYFRHSECTPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-7-17-15(21)12-5-8-20(9-6-12)13-10-16-11-18-14(13)19(2)3/h10-12H,4-9H2,1-3H3,(H,17,21).
What are the key properties of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide?
1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 53165524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).