(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide

C16H24N4O3 — CID 124616039

IUPAC(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCc1nccc(CNC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)n1
InChIInChI=1S/C16H24N4O3/c1-12-17-6-5-14(19-12)10-18-15(21)20-7-3-4-13(11-20)16(2)22-8-9-23-16/h5-6,13H,3-4,7-11H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyCLELICSRBOCZLG-CYBMUJFWSA-N
MW320.39 g/mol
LogP1.47
Rot. Bonds3

About (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide

(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 124616039) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
PubChem CID124616039
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCc1nccc(CNC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)n1
InChIInChI=1S/C16H24N4O3/c1-12-17-6-5-14(19-12)10-18-15(21)20-7-3-4-13(11-20)16(2)22-8-9-23-16/h5-6,13H,3-4,7-11H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyCLELICSRBOCZLG-CYBMUJFWSA-N
XLogP1.47
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-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

(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 124616109
3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63136472
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 97350793
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 47328498
(3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 97350912
N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 75477048
N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75477456
(3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide
CID 95968998
3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107071555
(4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 86788553
(3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 97351555
2-(2-hydroxy-2-phenylethyl)-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71868512

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide (CID 124616039) is (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide is Cc1nccc(CNC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)n1.
What is the InChIKey of (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is CLELICSRBOCZLG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-17-6-5-14(19-12)10-18-15(21)20-7-3-4-13(11-20)16(2)22-8-9-23-16/h5-6,13H,3-4,7-11H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide?
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 124616039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).