[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone

C16H29N3O2 — CID 81128684

IUPAC[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCNC1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H29N3O2/c20-16(15-2-1-5-17-12-15)19-6-3-14(4-7-19)13-18-8-10-21-11-9-18/h14-15,17H,1-13H2/t15-/m1/s1
InChIKeyHJQHTEWRHWLNEH-OAHLLOKOSA-N
MW295.43 g/mol
LogP0.56
Rot. Bonds3

About [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone

[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone (PubChem CID 81128684) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
PubChem CID81128684
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCNC1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H29N3O2/c20-16(15-2-1-5-17-12-15)19-6-3-14(4-7-19)13-18-8-10-21-11-9-18/h14-15,17H,1-13H2/t15-/m1/s1
InChIKeyHJQHTEWRHWLNEH-OAHLLOKOSA-N
XLogP0.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
CID 81141474
piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894675
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
pyrrolidin-3-yl-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119892585
[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 54874476
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
(3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81141484
1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119329547
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 114797503
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153

Frequently Asked Questions

What is the IUPAC name of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The IUPAC name of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone (CID 81128684) is [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone.
What is the SMILES notation for [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The canonical SMILES for [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone is O=C([C@@H]1CCCNC1)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The InChIKey is HJQHTEWRHWLNEH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H29N3O2/c20-16(15-2-1-5-17-12-15)19-6-3-14(4-7-19)13-18-8-10-21-11-9-18/h14-15,17H,1-13H2/t15-/m1/s1.
What are the key properties of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone?
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone has a molecular weight of 295.43 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone is sourced from PubChem (CID 81128684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).