1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid

C12H17N3O2 — CID 144878454

IUPAC1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid
SMILESCNc1ccc(N2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C12H17N3O2/c1-13-11-3-2-10(8-14-11)15-6-4-9(5-7-15)12(16)17/h2-3,8-9H,4-7H2,1H3,(H,13,14)(H,16,17)
InChIKeyZQKSMOVRJYBXOH-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.42
Rot. Bonds3

About 1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid

1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 144878454) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid
PubChem CID144878454
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid
SMILESCNc1ccc(N2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C12H17N3O2/c1-13-11-3-2-10(8-14-11)15-6-4-9(5-7-15)12(16)17/h2-3,8-9H,4-7H2,1H3,(H,13,14)(H,16,17)
InChIKeyZQKSMOVRJYBXOH-UHFFFAOYSA-N
XLogP1.42
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid
CID 39187771
1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid
CID 134406007
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187652
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
2-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 39180437
cis-(1R,3S)-2,2-dimethyl-3-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122065870
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid
CID 118212046
1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide
CID 115940404
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-4-carboxamide
CID 103938495
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid (CID 144878454) is 1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid is CNc1ccc(N2CCC(C(=O)O)CC2)cn1.
What is the InChIKey of 1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is ZQKSMOVRJYBXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-11-3-2-10(8-14-11)15-6-4-9(5-7-15)12(16)17/h2-3,8-9H,4-7H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid?
1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 144878454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).