[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone

C16H21N3O — CID 124592361

IUPAC[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone
SMILESC[C@H](N)[C@@H]1CCCN(C(=O)c2cc3ccccn3c2)C1
InChIInChI=1S/C16H21N3O/c1-12(17)13-5-4-8-19(10-13)16(20)14-9-15-6-2-3-7-18(15)11-14/h2-3,6-7,9,11-13H,4-5,8,10,17H2,1H3/t12-,13+/m0/s1
InChIKeyINAPZLCYCLYKPV-QWHCGFSZSA-N
MW271.36 g/mol
LogP2.14
Rot. Bonds2

About [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone

[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone (PubChem CID 124592361) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone
PubChem CID124592361
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone
SMILESC[C@H](N)[C@@H]1CCCN(C(=O)c2cc3ccccn3c2)C1
InChIInChI=1S/C16H21N3O/c1-12(17)13-5-4-8-19(10-13)16(20)14-9-15-6-2-3-7-18(15)11-14/h2-3,6-7,9,11-13H,4-5,8,10,17H2,1H3/t12-,13+/m0/s1
InChIKeyINAPZLCYCLYKPV-QWHCGFSZSA-N
XLogP2.14
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124594675
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119595557
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793684
[3-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119592720
[3-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82879665
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 124691184
[3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119594920
[3-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119596663
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride
CID 119592633
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 124689004
[3-(1-aminoethyl)piperidin-1-yl]-(3-bromo-4-fluorophenyl)methanone
CID 86813854

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone?
The IUPAC name of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone (CID 124592361) is [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone?
The canonical SMILES for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone is C[C@H](N)[C@@H]1CCCN(C(=O)c2cc3ccccn3c2)C1.
What is the InChIKey of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone?
The InChIKey is INAPZLCYCLYKPV-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(17)13-5-4-8-19(10-13)16(20)14-9-15-6-2-3-7-18(15)11-14/h2-3,6-7,9,11-13H,4-5,8,10,17H2,1H3/t12-,13+/m0/s1.
What are the key properties of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone?
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone has a molecular weight of 271.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone is sourced from PubChem (CID 124592361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).