4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid

C18H27N3O4 — CID 90994258

IUPAC4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)c1cccc(CC2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C18H27N3O4/c1-18(2,3)25-17(24)20(4)15-7-5-6-14(19-15)12-13-8-10-21(11-9-13)16(22)23/h5-7,13H,8-12H2,1-4H3,(H,22,23)
InChIKeyVMUBGXUIJZZGMO-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.39
Rot. Bonds3

About 4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid

4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid (PubChem CID 90994258) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid
PubChem CID90994258
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)c1cccc(CC2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C18H27N3O4/c1-18(2,3)25-17(24)20(4)15-7-5-6-14(19-15)12-13-8-10-21(11-9-13)16(22)23/h5-7,13H,8-12H2,1-4H3,(H,22,23)
InChIKeyVMUBGXUIJZZGMO-UHFFFAOYSA-N
XLogP3.39
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate
CID 58695834
tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate
CID 58230679
tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate
CID 175281835
tert-butyl 3-[[(6-bromo-2-pyridinyl)-methylamino]methyl]pyrrolidine-1-carboxylate
CID 71647751
tert-butyl (3R)-3-[[(6-bromo-2-pyridinyl)-methylamino]methyl]pyrrolidine-1-carboxylate
CID 97167564
tert-butyl (3S)-3-[[(6-bromo-2-pyridinyl)-methylamino]methyl]pyrrolidine-1-carboxylate
CID 97167565
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
tert-butyl 4-[[4-(dimethylamino)phenyl]methyl]piperidine-1-carboxylate
CID 139989102
3-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]methyl]pyrazin-2-yl]benzoic acid
CID 175660541
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046
tert-butyl 4-[(5-phenylmethoxy-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 171082980
tert-butyl 4-[(3-tert-butylphenyl)methyl]piperidine-1-carboxylate
CID 10735287

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid (CID 90994258) is 4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid is CN(C(=O)OC(C)(C)C)c1cccc(CC2CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid?
The InChIKey is VMUBGXUIJZZGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-18(2,3)25-17(24)20(4)15-7-5-6-14(19-15)12-13-8-10-21(11-9-13)16(22)23/h5-7,13H,8-12H2,1-4H3,(H,22,23).
What are the key properties of 4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid?
4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid has a molecular weight of 349.43 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90994258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).