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

C14H21N3O — CID 97164226

IUPAC2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone
SMILESCN(CC(=O)c1ccccn1)C[C@H]1CCCCN1
InChIInChI=1S/C14H21N3O/c1-17(10-12-6-2-4-8-15-12)11-14(18)13-7-3-5-9-16-13/h3,5,7,9,12,15H,2,4,6,8,10-11H2,1H3/t12-/m1/s1
InChIKeyKXAFRXMQXHBYIG-GFCCVEGCSA-N
MW247.34 g/mol
LogP1.34
Rot. Bonds5

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

2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone (PubChem CID 97164226) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone
PubChem CID97164226
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone
SMILESCN(CC(=O)c1ccccn1)C[C@H]1CCCCN1
InChIInChI=1S/C14H21N3O/c1-17(10-12-6-2-4-8-15-12)11-14(18)13-7-3-5-9-16-13/h3,5,7,9,12,15H,2,4,6,8,10-11H2,1H3/t12-/m1/s1
InChIKeyKXAFRXMQXHBYIG-GFCCVEGCSA-N
XLogP1.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171
N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106627024
2-[methyl(piperidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
CID 106635732
2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 71641896
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741
2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone
CID 97165766
N-methyl-2-pyridin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 28599662
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71641585
N-(3-iodophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635710
N-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine
CID 106614320
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone?
The IUPAC name of 2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone (CID 97164226) is 2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone?
The canonical SMILES for 2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone is CN(CC(=O)c1ccccn1)C[C@H]1CCCCN1.
What is the InChIKey of 2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone?
The InChIKey is KXAFRXMQXHBYIG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(10-12-6-2-4-8-15-12)11-14(18)13-7-3-5-9-16-13/h3,5,7,9,12,15H,2,4,6,8,10-11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone?
2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone has a molecular weight of 247.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone is sourced from PubChem (CID 97164226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).