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

C16H29N3O — CID 81129587

IUPAC[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C([C@H]1CCCNC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H29N3O/c20-16(14-5-4-8-17-13-14)19-11-6-15(7-12-19)18-9-2-1-3-10-18/h14-15,17H,1-13H2/t14-/m0/s1
InChIKeyNDFJGJAFYFQTKJ-AWEZNQCLSA-N
MW279.43 g/mol
LogP1.46
Rot. Bonds2

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

[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 81129587) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is [(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID81129587
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C([C@H]1CCCNC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H29N3O/c20-16(14-5-4-8-17-13-14)19-11-6-15(7-12-19)18-9-2-1-3-10-18/h14-15,17H,1-13H2/t14-/m0/s1
InChIKeyNDFJGJAFYFQTKJ-AWEZNQCLSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
azepan-4-yl-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 131891807
(4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119871577
(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119877849
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-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81141484
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153
(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 57463734
cyclobutyl-(4-piperidin-3-ylpiperazin-1-yl)methanone
CID 115270016

Frequently Asked Questions

What is the IUPAC name of [(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 81129587) is [(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C([C@H]1CCCNC1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is NDFJGJAFYFQTKJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H29N3O/c20-16(14-5-4-8-17-13-14)19-11-6-15(7-12-19)18-9-2-1-3-10-18/h14-15,17H,1-13H2/t14-/m0/s1.
What are the key properties of [(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 279.43 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 81129587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).