(3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid

C32H55N3O7 — CID 70237117

IUPAC(3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCC(CCC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)N2CCC[C@@H](C(=O)O)C2)CC1
InChIInChI=1S/C32H55N3O7/c1-31(2,3)41-29(39)33-18-13-23(14-19-33)9-11-25(27(36)35-17-7-8-26(22-35)28(37)38)12-10-24-15-20-34(21-16-24)30(40)42-32(4,5)6/h23-26H,7-22H2,1-6H3,(H,37,38)/t26-/m1/s1
InChIKeyDWAJUHMLNRLVJK-AREMUKBSSA-N
MW593.81 g/mol
LogP5.78
Rot. Bonds8

About (3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid

(3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid (PubChem CID 70237117) has the molecular formula C32H55N3O7 and a molecular weight of 593.81 g/mol. Its IUPAC name is (3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid
PubChem CID70237117
Molecular FormulaC32H55N3O7
Molecular Weight593.81 g/mol
Exact Mass593.40
IUPAC Name(3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCC(CCC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)N2CCC[C@@H](C(=O)O)C2)CC1
InChIInChI=1S/C32H55N3O7/c1-31(2,3)41-29(39)33-18-13-23(14-19-33)9-11-25(27(36)35-17-7-8-26(22-35)28(37)38)12-10-24-15-20-34(21-16-24)30(40)42-32(4,5)6/h23-26H,7-22H2,1-6H3,(H,37,38)/t26-/m1/s1
InChIKeyDWAJUHMLNRLVJK-AREMUKBSSA-N
XLogP5.78
TPSA116.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.81
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119028566
1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate
CID 22611912
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]acetic acid
CID 53302291
tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182
(2R)-2-(2-cyanoethyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid
CID 70043529
tert-butyl (4S)-4-(hydroxymethyl)azepane-1-carboxylate
CID 86326135
(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3S)-piperidine-3-carboxylic acid
CID 167543627
tert-butyl 4-(piperidin-1-yloxymethyl)piperidine-1-carboxylate
CID 175363722
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid
CID 139554798
tert-butyl (3R)-3-oxaldehydoylpiperidine-1-carboxylate
CID 171085627
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate
CID 174823448

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid (CID 70237117) is (3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(CCC(CCC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)N2CCC[C@@H](C(=O)O)C2)CC1.
What is the InChIKey of (3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid?
The InChIKey is DWAJUHMLNRLVJK-AREMUKBSSA-N. The full InChI is InChI=1S/C32H55N3O7/c1-31(2,3)41-29(39)33-18-13-23(14-19-33)9-11-25(27(36)35-17-7-8-26(22-35)28(37)38)12-10-24-15-20-34(21-16-24)30(40)42-32(4,5)6/h23-26H,7-22H2,1-6H3,(H,37,38)/t26-/m1/s1.
What are the key properties of (3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid?
(3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid has a molecular weight of 593.81 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 70237117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).