[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C21H29N5O2 — CID 25368785

IUPAC[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESC[C@@H]1CN(c2ccc(C(=O)N3CCC(Cn4cccn4)CC3)cn2)C[C@H](C)O1
InChIInChI=1S/C21H29N5O2/c1-16-13-25(14-17(2)28-16)20-5-4-19(12-22-20)21(27)24-10-6-18(7-11-24)15-26-9-3-8-23-26/h3-5,8-9,12,16-18H,6-7,10-11,13-15H2,1-2H3/t16-,17+
InChIKeyRNUBRTOKYKKVRZ-CALCHBBNSA-N
MW383.50 g/mol
LogP2.44
Rot. Bonds4

About [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 25368785) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID25368785
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESC[C@@H]1CN(c2ccc(C(=O)N3CCC(Cn4cccn4)CC3)cn2)C[C@H](C)O1
InChIInChI=1S/C21H29N5O2/c1-16-13-25(14-17(2)28-16)20-5-4-19(12-22-20)21(27)24-10-6-18(7-11-24)15-26-9-3-8-23-26/h3-5,8-9,12,16-18H,6-7,10-11,13-15H2,1-2H3/t16-,17+
InChIKeyRNUBRTOKYKKVRZ-CALCHBBNSA-N
XLogP2.44
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95193057
[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133447932
1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320191
1-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320192
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 124695718
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 75403072
[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 45216463
[6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 25372870
[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 70779716
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 46487125

Frequently Asked Questions

What is the IUPAC name of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 25368785) is [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is C[C@@H]1CN(c2ccc(C(=O)N3CCC(Cn4cccn4)CC3)cn2)C[C@H](C)O1.
What is the InChIKey of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is RNUBRTOKYKKVRZ-CALCHBBNSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-16-13-25(14-17(2)28-16)20-5-4-19(12-22-20)21(27)24-10-6-18(7-11-24)15-26-9-3-8-23-26/h3-5,8-9,12,16-18H,6-7,10-11,13-15H2,1-2H3/t16-,17+.
What are the key properties of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 25368785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).