N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide

C19H31N5O3 — CID 120891003

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
SMILESCOCC1(CNC(=O)C2CCC(=O)N(C)C2c2cnn(C)c2)CCNCC1
InChIInChI=1S/C19H31N5O3/c1-23-11-14(10-22-23)17-15(4-5-16(25)24(17)2)18(26)21-12-19(13-27-3)6-8-20-9-7-19/h10-11,15,17,20H,4-9,12-13H2,1-3H3,(H,21,26)
InChIKeyLVRCORKVXZCNGF-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.46
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 120891003) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
PubChem CID120891003
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
SMILESCOCC1(CNC(=O)C2CCC(=O)N(C)C2c2cnn(C)c2)CCNCC1
InChIInChI=1S/C19H31N5O3/c1-23-11-14(10-22-23)17-15(4-5-16(25)24(17)2)18(26)21-12-19(13-27-3)6-8-20-9-7-19/h10-11,15,17,20H,4-9,12-13H2,1-3H3,(H,21,26)
InChIKeyLVRCORKVXZCNGF-UHFFFAOYSA-N
XLogP0.46
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-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-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide (CID 120891003) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide is COCC1(CNC(=O)C2CCC(=O)N(C)C2c2cnn(C)c2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is LVRCORKVXZCNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-23-11-14(10-22-23)17-15(4-5-16(25)24(17)2)18(26)21-12-19(13-27-3)6-8-20-9-7-19/h10-11,15,17,20H,4-9,12-13H2,1-3H3,(H,21,26).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 120891003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).