[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone

C20H31N3O3 — CID 56911992

IUPAC[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCC(C)CC1(CO)CCCN(c2ccnc(C(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C20H31N3O3/c1-16(2)13-20(15-24)5-3-7-23(14-20)17-4-6-21-18(12-17)19(25)22-8-10-26-11-9-22/h4,6,12,16,24H,3,5,7-11,13-15H2,1-2H3
InChIKeyQKFZDTFDWKAXSA-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.18
Rot. Bonds5

About [4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone

[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 56911992) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is [4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID56911992
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCC(C)CC1(CO)CCCN(c2ccnc(C(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C20H31N3O3/c1-16(2)13-20(15-24)5-3-7-23(14-20)17-4-6-21-18(12-17)19(25)22-8-10-26-11-9-22/h4,6,12,16,24H,3,5,7-11,13-15H2,1-2H3
InChIKeyQKFZDTFDWKAXSA-UHFFFAOYSA-N
XLogP2.18
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 95724039
1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 109206574
N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
[3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol
CID 72847821
[4-(3-methoxypiperidin-1-yl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 56886009
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
[4-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56898986
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058
1-(2-carbamoyl-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136488

Frequently Asked Questions

What is the IUPAC name of [4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone (CID 56911992) is [4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone is CC(C)CC1(CO)CCCN(c2ccnc(C(=O)N3CCOCC3)c2)C1.
What is the InChIKey of [4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is QKFZDTFDWKAXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-16(2)13-20(15-24)5-3-7-23(14-20)17-4-6-21-18(12-17)19(25)22-8-10-26-11-9-22/h4,6,12,16,24H,3,5,7-11,13-15H2,1-2H3.
What are the key properties of [4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 361.49 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56911992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).