(2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid

C19H22N4O3 — CID 67137713

IUPAC(2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid
SMILESNC(=O)CN(C(=O)O)C1CCN(c2cccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H22N4O3/c20-17(24)13-23(19(25)26)15-9-11-22(12-10-15)18-8-4-7-16(21-18)14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H2,20,24)(H,25,26)
InChIKeyVLTDLGNXFGKDLL-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.18
Rot. Bonds5

About (2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid

(2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid (PubChem CID 67137713) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name(2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid
PubChem CID67137713
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid
SMILESNC(=O)CN(C(=O)O)C1CCN(c2cccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H22N4O3/c20-17(24)13-23(19(25)26)15-9-11-22(12-10-15)18-8-4-7-16(21-18)14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H2,20,24)(H,25,26)
InChIKeyVLTDLGNXFGKDLL-UHFFFAOYSA-N
XLogP2.18
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid
CID 67130428
methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 67130546
methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate
CID 174487288
[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid
CID 67130506
ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67136421
(E)-3-[3-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]phenyl]prop-2-enoic acid
CID 24812225
3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide
CID 141345390
2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
CID 89454479
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid
CID 67136648
[1-[6-[3-(cyanomethyl)phenyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid
CID 141345364
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
The IUPAC name of (2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid (CID 67137713) is (2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for (2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for (2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid is NC(=O)CN(C(=O)O)C1CCN(c2cccc(-c3ccccc3)n2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
The InChIKey is VLTDLGNXFGKDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c20-17(24)13-23(19(25)26)15-9-11-22(12-10-15)18-8-4-7-16(21-18)14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H2,20,24)(H,25,26).
What are the key properties of (2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
(2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid has a molecular weight of 354.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 67137713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).