1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide

C13H20N4O — CID 63889418

IUPAC1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide
SMILESNCc1cc(CN2CCCC(C(N)=O)C2)ccn1
InChIInChI=1S/C13H20N4O/c14-7-12-6-10(3-4-16-12)8-17-5-1-2-11(9-17)13(15)18/h3-4,6,11H,1-2,5,7-9,14H2,(H2,15,18)
InChIKeyMFCIOWQIQLLHLH-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.24
Rot. Bonds4

About 1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide

1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide (PubChem CID 63889418) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide
PubChem CID63889418
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide
SMILESNCc1cc(CN2CCCC(C(N)=O)C2)ccn1
InChIInChI=1S/C13H20N4O/c14-7-12-6-10(3-4-16-12)8-17-5-1-2-11(9-17)13(15)18/h3-4,6,11H,1-2,5,7-9,14H2,(H2,15,18)
InChIKeyMFCIOWQIQLLHLH-UHFFFAOYSA-N
XLogP0.24
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(propylamino)-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 62471287
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol
CID 63887461
[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835
1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 115622557
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125840
1-[[3-[[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;hydroiodide
CID 111758842
(3R)-1-[[4-(dimethylamino)phenyl]methyl]piperidine-3-carboxamide
CID 26458213

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide (CID 63889418) is 1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide is NCc1cc(CN2CCCC(C(N)=O)C2)ccn1.
What is the InChIKey of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide?
The InChIKey is MFCIOWQIQLLHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-7-12-6-10(3-4-16-12)8-17-5-1-2-11(9-17)13(15)18/h3-4,6,11H,1-2,5,7-9,14H2,(H2,15,18).
What are the key properties of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide?
1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 63889418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).