2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid

C14H18ClN3O3 — CID 122052078

IUPAC2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1ncc(C(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C14H18ClN3O3/c1-17(9-12(19)20)13-11(15)7-10(8-16-13)14(21)18-5-3-2-4-6-18/h7-8H,2-6,9H2,1H3,(H,19,20)
InChIKeyUEVQCRPKOUOREC-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.88
Rot. Bonds4

About 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid

2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid (PubChem CID 122052078) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid
PubChem CID122052078
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1ncc(C(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C14H18ClN3O3/c1-17(9-12(19)20)13-11(15)7-10(8-16-13)14(21)18-5-3-2-4-6-18/h7-8H,2-6,9H2,1H3,(H,19,20)
InChIKeyUEVQCRPKOUOREC-UHFFFAOYSA-N
XLogP1.88
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 75396529
[5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270650
[5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273355
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid
CID 54980980
N-[1-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-N-methylethanesulfonamide
CID 133295403
(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
CID 130159370
[5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133385820
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 60637345
[5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
CID 55809533

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid?
The IUPAC name of 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid (CID 122052078) is 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid is CN(CC(=O)O)c1ncc(C(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid?
The InChIKey is UEVQCRPKOUOREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-17(9-12(19)20)13-11(15)7-10(8-16-13)14(21)18-5-3-2-4-6-18/h7-8H,2-6,9H2,1H3,(H,19,20).
What are the key properties of 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid?
2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid has a molecular weight of 311.77 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid is sourced from PubChem (CID 122052078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).