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

C19H31N5O3 — CID 72849017

IUPAC(3R,5S)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESCN(CCCc1cnn(C)c1)C(=O)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H31N5O3/c1-22(5-3-4-15-11-21-23(2)14-15)18(25)16-10-17(13-20-12-16)19(26)24-6-8-27-9-7-24/h11,14,16-17,20H,3-10,12-13H2,1-2H3/t16-,17+/m1/s1
InChIKeyMCLXCDPIODJDRP-SJORKVTESA-N
MW377.49 g/mol
LogP-0.10
Rot. Bonds6

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

(3R,5S)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 72849017) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is (3R,5S)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
PubChem CID72849017
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name(3R,5S)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESCN(CCCc1cnn(C)c1)C(=O)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H31N5O3/c1-22(5-3-4-15-11-21-23(2)14-15)18(25)16-10-17(13-20-12-16)19(26)24-6-8-27-9-7-24/h11,14,16-17,20H,3-10,12-13H2,1-2H3/t16-,17+/m1/s1
InChIKeyMCLXCDPIODJDRP-SJORKVTESA-N
XLogP-0.10
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

US11179399, Example 19
CID 163200021
US11179399, Example 19_1
CID 163200022
US11179399, Example 19_2
CID 163200023
1-isopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72919300
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-6-oxo-3-piperidinecarboxamide
CID 72923965
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*,5R*)-N-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72873135
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
6-Ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one
CID 127970694
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
CID 120921435

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (CID 72849017) is (3R,5S)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is CN(CCCc1cnn(C)c1)C(=O)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of (3R,5S)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is MCLXCDPIODJDRP-SJORKVTESA-N. The full InChI is InChI=1S/C19H31N5O3/c1-22(5-3-4-15-11-21-23(2)14-15)18(25)16-10-17(13-20-12-16)19(26)24-6-8-27-9-7-24/h11,14,16-17,20H,3-10,12-13H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (3R,5S)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
(3R,5S)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72849017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).