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

C15H24N4O3 — CID 124616109

IUPAC(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCn1cc(CNC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)cn1
InChIInChI=1S/C15H24N4O3/c1-15(21-6-7-22-15)13-4-3-5-19(11-13)14(20)16-8-12-9-17-18(2)10-12/h9-10,13H,3-8,11H2,1-2H3,(H,16,20)/t13-/m1/s1
InChIKeyYYKCKBXTOIQZAD-CYBMUJFWSA-N
MW308.38 g/mol
LogP1.10
Rot. Bonds3

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

(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 124616109) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
PubChem CID124616109
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCn1cc(CNC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)cn1
InChIInChI=1S/C15H24N4O3/c1-15(21-6-7-22-15)13-4-3-5-19(11-13)14(20)16-8-12-9-17-18(2)10-12/h9-10,13H,3-8,11H2,1-2H3,(H,16,20)/t13-/m1/s1
InChIKeyYYKCKBXTOIQZAD-CYBMUJFWSA-N
XLogP1.10
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]azepane-1-carboxamide
CID 115590808
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 124616039
3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
CID 75520585
(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
4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide
CID 84590732
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 97350793
(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-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617071
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide
CID 99854051
N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide
CID 71990477
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide (CID 124616109) is (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide is Cn1cc(CNC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)cn1.
What is the InChIKey of (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is YYKCKBXTOIQZAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(21-6-7-22-15)13-4-3-5-19(11-13)14(20)16-8-12-9-17-18(2)10-12/h9-10,13H,3-8,11H2,1-2H3,(H,16,20)/t13-/m1/s1.
What are the key properties of (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.10, 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-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 124616109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).