1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide

C18H30N6O — CID 53165872

IUPAC1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cncnc2N2CCN(C)CC2)CC1
InChIInChI=1S/C18H30N6O/c1-14(2)21-18(25)15-4-6-23(7-5-15)16-12-19-13-20-17(16)24-10-8-22(3)9-11-24/h12-15H,4-11H2,1-3H3,(H,21,25)
InChIKeyBURUQDRAFDKQQZ-UHFFFAOYSA-N
MW346.48 g/mol
LogP0.97
Rot. Bonds4

About 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide

1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 53165872) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID53165872
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cncnc2N2CCN(C)CC2)CC1
InChIInChI=1S/C18H30N6O/c1-14(2)21-18(25)15-4-6-23(7-5-15)16-12-19-13-20-17(16)24-10-8-22(3)9-11-24/h12-15H,4-11H2,1-3H3,(H,21,25)
InChIKeyBURUQDRAFDKQQZ-UHFFFAOYSA-N
XLogP0.97
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-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

Related Compounds

6,8-Dimethyl-2-piperazin-1-ylpteridin-7-one
CID 3233003
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
8-Cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one
CID 3233539
8-Cyclopropyl-2-piperazin-1-ylpteridin-7-one
CID 3234693
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207
3,3-dimethyl-N~1~-(2-piperidino-5-pyrimidinyl)butanamide
CID 53164677
5-(4-{[1,4'-Bipiperidine]-1'-carbonyl}piperidin-1-YL)-N,N-dimethylpyrimidin-4-amine
CID 53165528
N~4~-cyclopentyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165784
1-N-cyclopropyl-4-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-1,4-dicarboxamide
CID 53501342
1-pyrimidin-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501839
1-butanoyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501867

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 53165872) is 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(c2cncnc2N2CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is BURUQDRAFDKQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-14(2)21-18(25)15-4-6-23(7-5-15)16-12-19-13-20-17(16)24-10-8-22(3)9-11-24/h12-15H,4-11H2,1-3H3,(H,21,25).
What are the key properties of 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 53165872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).