(3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone

C12H23N3O — CID 79155389

IUPAC(3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone
SMILESCC(C)C1(N)CN(C(=O)N2CCCCC2)C1
InChIInChI=1S/C12H23N3O/c1-10(2)12(13)8-15(9-12)11(16)14-6-4-3-5-7-14/h10H,3-9,13H2,1-2H3
InChIKeyKRWALUQDXUIINM-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.26
Rot. Bonds1

About (3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone

(3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone (PubChem CID 79155389) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone
PubChem CID79155389
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone
SMILESCC(C)C1(N)CN(C(=O)N2CCCCC2)C1
InChIInChI=1S/C12H23N3O/c1-10(2)12(13)8-15(9-12)11(16)14-6-4-3-5-7-14/h10H,3-9,13H2,1-2H3
InChIKeyKRWALUQDXUIINM-UHFFFAOYSA-N
XLogP1.26
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 79152113
(3-amino-3-methylazetidin-1-yl)-piperidin-1-ylmethanone
CID 79155212
azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743359
(3-ethyl-3-hydroxyazetidin-1-yl)-piperidin-1-ylmethanone
CID 79156175
azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835725
(3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 103727843
[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 70534208
azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 117068106
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
(4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone
CID 113220293
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone
CID 81195027

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone (CID 79155389) is (3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone is CC(C)C1(N)CN(C(=O)N2CCCCC2)C1.
What is the InChIKey of (3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone?
The InChIKey is KRWALUQDXUIINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(2)12(13)8-15(9-12)11(16)14-6-4-3-5-7-14/h10H,3-9,13H2,1-2H3.
What are the key properties of (3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone?
(3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone has a molecular weight of 225.34 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 79155389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).