4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid

C17H31N3O4 — CID 170432681

IUPAC4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid
SMILESC[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)N1CCN(C(=O)O)CC1
InChIInChI=1S/C17H31N3O4/c1-13(18-9-11-19(12-10-18)15(21)22)14-5-7-20(8-6-14)16(23)24-17(2,3)4/h13-14H,5-12H2,1-4H3,(H,21,22)/t13-/m1/s1
InChIKeyYSNVPBHZRAVDKT-CYBMUJFWSA-N
MW341.45 g/mol
LogP2.32
Rot. Bonds2

About 4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid

4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid (PubChem CID 170432681) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid
PubChem CID170432681
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Name4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid
SMILESC[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)N1CCN(C(=O)O)CC1
InChIInChI=1S/C17H31N3O4/c1-13(18-9-11-19(12-10-18)15(21)22)14-5-7-20(8-6-14)16(23)24-17(2,3)4/h13-14H,5-12H2,1-4H3,(H,21,22)/t13-/m1/s1
InChIKeyYSNVPBHZRAVDKT-CYBMUJFWSA-N
XLogP2.32
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[(1S)-1-iodoethyl]piperidine-1-carboxylate
CID 97175280
tert-butyl 4-[(1S)-1-sulfanylethyl]piperidine-1-carboxylate
CID 97176087
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate;2-methylpropane
CID 142509298
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate
CID 142509299
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
4-O-tert-butyl 1-O-propan-2-yl piperazine-1,4-dicarboxylate;formic acid
CID 142002254
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583757
tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
tert-butyl 4-(1-fluoroethyl)piperazine-1-carboxylate
CID 53421985
2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 58786485

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid (CID 170432681) is 4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid is C[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid?
The InChIKey is YSNVPBHZRAVDKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-13(18-9-11-19(12-10-18)15(21)22)14-5-7-20(8-6-14)16(23)24-17(2,3)4/h13-14H,5-12H2,1-4H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid?
4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid has a molecular weight of 341.45 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 170432681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).