[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid

C11H16N4O2 — CID 70982126

IUPAC[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid
SMILESNc1ccncc1N1CCCC(NC(=O)O)C1
InChIInChI=1S/C11H16N4O2/c12-9-3-4-13-6-10(9)15-5-1-2-8(7-15)14-11(16)17/h3-4,6,8,14H,1-2,5,7H2,(H2,12,13)(H,16,17)
InChIKeyHWSAPBFFADVGLG-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.90
Rot. Bonds2

About [1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid

[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid (PubChem CID 70982126) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is [1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid
PubChem CID70982126
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid
SMILESNc1ccncc1N1CCCC(NC(=O)O)C1
InChIInChI=1S/C11H16N4O2/c12-9-3-4-13-6-10(9)15-5-1-2-8(7-15)14-11(16)17/h3-4,6,8,14H,1-2,5,7H2,(H2,12,13)(H,16,17)
InChIKeyHWSAPBFFADVGLG-UHFFFAOYSA-N
XLogP0.90
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
CID 69046948
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
[1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid
CID 69043410
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid
CID 66765635
[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
CID 135281348
[(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid
CID 90279325
4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243197
[(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid
CID 67347099
[(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid
CID 135145610
4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 113402381
[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate
CID 174794058

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid?
The IUPAC name of [1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid (CID 70982126) is [1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid?
The canonical SMILES for [1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid is Nc1ccncc1N1CCCC(NC(=O)O)C1.
What is the InChIKey of [1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid?
The InChIKey is HWSAPBFFADVGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-9-3-4-13-6-10(9)15-5-1-2-8(7-15)14-11(16)17/h3-4,6,8,14H,1-2,5,7H2,(H2,12,13)(H,16,17).
What are the key properties of [1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid?
[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid has a molecular weight of 236.27 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 70982126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).