[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C24H38N4O2 — CID 133447932

IUPAC[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N3CCC(CN4CC(C)OC(C)C4)CC3)nc2)CC1
InChIInChI=1S/C24H38N4O2/c1-18-6-10-28(11-7-18)24(29)22-4-5-23(25-14-22)27-12-8-21(9-13-27)17-26-15-19(2)30-20(3)16-26/h4-5,14,18-21H,6-13,15-17H2,1-3H3
InChIKeyHRXXNPCFQCGKBM-UHFFFAOYSA-N
MW414.59 g/mol
LogP3.28
Rot. Bonds4

About [6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 133447932) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is [6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID133447932
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N3CCC(CN4CC(C)OC(C)C4)CC3)nc2)CC1
InChIInChI=1S/C24H38N4O2/c1-18-6-10-28(11-7-18)24(29)22-4-5-23(25-14-22)27-12-8-21(9-13-27)17-26-15-19(2)30-20(3)16-26/h4-5,14,18-21H,6-13,15-17H2,1-3H3
InChIKeyHRXXNPCFQCGKBM-UHFFFAOYSA-N
XLogP3.28
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 25368785
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95290673
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95290672
1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 124615419
1-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320192
1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320191
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95142907
[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 75403072
methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate
CID 133333967
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 124695718

Frequently Asked Questions

What is the IUPAC name of [6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 133447932) is [6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(N3CCC(CN4CC(C)OC(C)C4)CC3)nc2)CC1.
What is the InChIKey of [6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is HRXXNPCFQCGKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-18-6-10-28(11-7-18)24(29)22-4-5-23(25-14-22)27-12-8-21(9-13-27)17-26-15-19(2)30-20(3)16-26/h4-5,14,18-21H,6-13,15-17H2,1-3H3.
What are the key properties of [6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 414.59 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 133447932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).