2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone

C12H23N3O — CID 173143766

IUPAC2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone
SMILESNCC(=O)N1CCCCC1C1CCNCC1
InChIInChI=1S/C12H23N3O/c13-9-12(16)15-8-2-1-3-11(15)10-4-6-14-7-5-10/h10-11,14H,1-9,13H2
InChIKeyDFOFRFINSVZSHA-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.33
Rot. Bonds2

About 2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone

2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone (PubChem CID 173143766) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone
PubChem CID173143766
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone
SMILESNCC(=O)N1CCCCC1C1CCNCC1
InChIInChI=1S/C12H23N3O/c13-9-12(16)15-8-2-1-3-11(15)10-4-6-14-7-5-10/h10-11,14H,1-9,13H2
InChIKeyDFOFRFINSVZSHA-UHFFFAOYSA-N
XLogP0.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
CID 93394797
(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 134348850
1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone
CID 115949324
1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63902985
N-ethyl-2-piperidin-4-ylazepane-1-carboxamide
CID 63904195
3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one
CID 103019657
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one
CID 64611265
3-phenyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]propan-1-one
CID 93394731
3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 119288477
phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone
CID 95241507

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone (CID 173143766) is 2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone is NCC(=O)N1CCCCC1C1CCNCC1.
What is the InChIKey of 2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is DFOFRFINSVZSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-9-12(16)15-8-2-1-3-11(15)10-4-6-14-7-5-10/h10-11,14H,1-9,13H2.
What are the key properties of 2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone?
2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 225.34 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 173143766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).