4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid

C16H22ClN3O2 — CID 174991980

IUPAC4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C[C@H](Nc2ccc(Cl)cn2)C2CC2)CC1
InChIInChI=1S/C16H22ClN3O2/c17-13-3-4-15(18-10-13)19-14(12-1-2-12)9-11-5-7-20(8-6-11)16(21)22/h3-4,10-12,14H,1-2,5-9H2,(H,18,19)(H,21,22)/t14-/m0/s1
InChIKeyUQSCQLQTCOQSFV-AWEZNQCLSA-N
MW323.82 g/mol
LogP3.71
Rot. Bonds5

About 4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid

4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid (PubChem CID 174991980) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
PubChem CID174991980
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C[C@H](Nc2ccc(Cl)cn2)C2CC2)CC1
InChIInChI=1S/C16H22ClN3O2/c17-13-3-4-15(18-10-13)19-14(12-1-2-12)9-11-5-7-20(8-6-11)16(21)22/h3-4,10-12,14H,1-2,5-9H2,(H,18,19)(H,21,22)/t14-/m0/s1
InChIKeyUQSCQLQTCOQSFV-AWEZNQCLSA-N
XLogP3.71
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 175114110
4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373160
4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid
CID 91243111
4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137373078
N-(5-chloro-2-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899282
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373252
N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide
CID 95576835
4-[[(6-chloropyrimidin-4-yl)amino]methyl]piperidine-1-carboxylic acid
CID 87133565
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
4-[[[5-(4-methylsulfonylphenyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylic acid
CID 68862512

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid (CID 174991980) is 4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(C[C@H](Nc2ccc(Cl)cn2)C2CC2)CC1.
What is the InChIKey of 4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid?
The InChIKey is UQSCQLQTCOQSFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c17-13-3-4-15(18-10-13)19-14(12-1-2-12)9-11-5-7-20(8-6-11)16(21)22/h3-4,10-12,14H,1-2,5-9H2,(H,18,19)(H,21,22)/t14-/m0/s1.
What are the key properties of 4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid?
4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid has a molecular weight of 323.82 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174991980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).