2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride

C13H20ClN3O — CID 71641585

IUPAC2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
SMILESCN(CC(=O)c1ccccn1)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C13H19N3O.ClH/c1-16(11-5-4-7-14-9-11)10-13(17)12-6-2-3-8-15-12;/h2-3,6,8,11,14H,4-5,7,9-10H2,1H3;1H/t11-;/m1./s1
InChIKeyFZNOJIHEFIKQAW-RFVHGSKJSA-N
MW269.78 g/mol
LogP1.37
Rot. Bonds4

About 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride

2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride (PubChem CID 71641585) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
PubChem CID71641585
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
SMILESCN(CC(=O)c1ccccn1)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C13H19N3O.ClH/c1-16(11-5-4-7-14-9-11)10-13(17)12-6-2-3-8-15-12;/h2-3,6,8,11,14H,4-5,7,9-10H2,1H3;1H/t11-;/m1./s1
InChIKeyFZNOJIHEFIKQAW-RFVHGSKJSA-N
XLogP1.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
CID 71641614
2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone
CID 71641602
2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71644996
2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone
CID 71641577
2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone
CID 71645154
N-ethyl-N-piperidin-3-yl-2-pyridin-2-ylacetamide
CID 55247016
2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone
CID 97164226
2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone
CID 97165742
N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014
2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride
CID 71645321
N-methyl-2-piperidin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 55105100
N-cyclohexyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63644075

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride?
The IUPAC name of 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride (CID 71641585) is 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride.
What is the SMILES notation for 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride?
The canonical SMILES for 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride is CN(CC(=O)c1ccccn1)[C@@H]1CCCNC1.Cl.
What is the InChIKey of 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride?
The InChIKey is FZNOJIHEFIKQAW-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H19N3O.ClH/c1-16(11-5-4-7-14-9-11)10-13(17)12-6-2-3-8-15-12;/h2-3,6,8,11,14H,4-5,7,9-10H2,1H3;1H/t11-;/m1./s1.
What are the key properties of 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride?
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride is sourced from PubChem (CID 71641585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).