2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one

C14H27N3O — CID 102977209

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCCCC1)N1CCC[C@@H](N)C1
InChIInChI=1S/C14H27N3O/c1-12(17-10-6-7-13(15)11-17)14(18)16-8-4-2-3-5-9-16/h12-13H,2-11,15H2,1H3/t12?,13-/m1/s1
InChIKeyLZZFUZFNOXDTQV-ZGTCLIOFSA-N
MW253.39 g/mol
LogP1.20
Rot. Bonds2

About 2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one

2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one (PubChem CID 102977209) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one
PubChem CID102977209
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCCCC1)N1CCC[C@@H](N)C1
InChIInChI=1S/C14H27N3O/c1-12(17-10-6-7-13(15)11-17)14(18)16-8-4-2-3-5-9-16/h12-13H,2-11,15H2,1H3/t12?,13-/m1/s1
InChIKeyLZZFUZFNOXDTQV-ZGTCLIOFSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 61297073
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
2-[3-(2-aminoethyl)piperidin-1-yl]-1-(azepan-1-yl)propan-1-one;hydrochloride
CID 120728309
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 55064381
2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63845229
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidine-3-carbaldehyde
CID 62654386
1-piperidin-1-yl-2-[3-(propylaminomethyl)piperidin-1-yl]propan-1-one
CID 63848820
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
(3S)-N-cyclopropyl-1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
CID 95104508
1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 63854094
2-(3-acetylpiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63847036
2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 81459438

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one (CID 102977209) is 2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one is CC(C(=O)N1CCCCCC1)N1CCC[C@@H](N)C1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one?
The InChIKey is LZZFUZFNOXDTQV-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(17-10-6-7-13(15)11-17)14(18)16-8-4-2-3-5-9-16/h12-13H,2-11,15H2,1H3/t12?,13-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one?
2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one is sourced from PubChem (CID 102977209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).