(3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone

C14H25N3O2 — CID 81141484

IUPAC(3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCNC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H25N3O2/c18-14(12-2-1-4-15-10-12)17-5-3-13(11-17)16-6-8-19-9-7-16/h12-13,15H,1-11H2/t12-,13?/m0/s1
InChIKeyQPJWNMWDZUBEPL-UEWDXFNNSA-N
MW267.37 g/mol
LogP-0.08
Rot. Bonds2

About (3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone

(3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone (PubChem CID 81141484) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
PubChem CID81141484
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCNC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H25N3O2/c18-14(12-2-1-4-15-10-12)17-5-3-13(11-17)16-6-8-19-9-7-16/h12-13,15H,1-11H2/t12-,13?/m0/s1
InChIKeyQPJWNMWDZUBEPL-UEWDXFNNSA-N
XLogP-0.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167029
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[(3S)-piperidin-3-yl]methanone
CID 81129891
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[(3R)-piperidin-3-yl]methanone
CID 81141639
(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119877849
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587
1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
CID 81141474
(6-methylpiperidin-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63525667
3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone
CID 121202092
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81128684
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(piperidin-3-yl)methanone
CID 43620377
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of (3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone (CID 81141484) is (3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for (3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for (3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone is O=C([C@H]1CCCNC1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of (3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The InChIKey is QPJWNMWDZUBEPL-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H25N3O2/c18-14(12-2-1-4-15-10-12)17-5-3-13(11-17)16-6-8-19-9-7-16/h12-13,15H,1-11H2/t12-,13?/m0/s1.
What are the key properties of (3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
(3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone has a molecular weight of 267.37 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 81141484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).