N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

C19H32N6O — CID 53165875

IUPACN-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2cncnc2N2CCN(C)CC2)CC1
InChIInChI=1S/C19H32N6O/c1-4-15(2)22-19(26)16-5-7-24(8-6-16)17-13-20-14-21-18(17)25-11-9-23(3)10-12-25/h13-16H,4-12H2,1-3H3,(H,22,26)
InChIKeyVXQRVFKIFYCLII-UHFFFAOYSA-N
MW360.51 g/mol
LogP1.36
Rot. Bonds5

About N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide (PubChem CID 53165875) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
PubChem CID53165875
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC NameN-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2cncnc2N2CCN(C)CC2)CC1
InChIInChI=1S/C19H32N6O/c1-4-15(2)22-19(26)16-5-7-24(8-6-16)17-13-20-14-21-18(17)25-11-9-23(3)10-12-25/h13-16H,4-12H2,1-3H3,(H,22,26)
InChIKeyVXQRVFKIFYCLII-UHFFFAOYSA-N
XLogP1.36
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide (CID 53165875) is N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(c2cncnc2N2CCN(C)CC2)CC1.
What is the InChIKey of N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
The InChIKey is VXQRVFKIFYCLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-4-15(2)22-19(26)16-5-7-24(8-6-16)17-13-20-14-21-18(17)25-11-9-23(3)10-12-25/h13-16H,4-12H2,1-3H3,(H,22,26).
What are the key properties of N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide has a molecular weight of 360.51 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53165875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).