(3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide

C18H29N5O3 — CID 72915181

IUPAC(3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESCN(CCc1cnn(C)c1)C(=O)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H29N5O3/c1-21(4-3-14-10-20-22(2)13-14)17(24)15-9-16(12-19-11-15)18(25)23-5-7-26-8-6-23/h10,13,15-16,19H,3-9,11-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyZFOJIUGFIJSDKO-HZPDHXFCSA-N
MW363.46 g/mol
LogP-0.49
Rot. Bonds5

About (3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide

(3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 72915181) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
PubChem CID72915181
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name(3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESCN(CCc1cnn(C)c1)C(=O)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H29N5O3/c1-21(4-3-14-10-20-22(2)13-14)17(24)15-9-16(12-19-11-15)18(25)23-5-7-26-8-6-23/h10,13,15-16,19H,3-9,11-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyZFOJIUGFIJSDKO-HZPDHXFCSA-N
XLogP-0.49
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790909
US11179399, Example 19
CID 163200021
US11179399, Example 19_1
CID 163200022
US11179399, Example 19_2
CID 163200023
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72857943
1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72914681
1-isopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72919300
1-(methoxyacetyl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72932030
N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-2-morpholinecarboxamide
CID 56917263
(3R*,5S*)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72849017
1-[3-(4-morpholinyl)propyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72924482
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 71895115

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (CID 72915181) is (3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is CN(CCc1cnn(C)c1)C(=O)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of (3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is ZFOJIUGFIJSDKO-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-21(4-3-14-10-20-22(2)13-14)17(24)15-9-16(12-19-11-15)18(25)23-5-7-26-8-6-23/h10,13,15-16,19H,3-9,11-12H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
(3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72915181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).