tert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate

C32H39N5O6 — CID 175152590

IUPACtert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(COc1ccc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1)N(C(=O)c1ccon1)c1ccc(C2CC2)cc1
InChIInChI=1S/C32H39N5O6/c1-21(37(30(39)28-15-17-42-35-28)25-11-9-23(10-12-25)22-7-8-22)20-41-26-13-14-27(33-18-26)29(38)34-24-6-5-16-36(19-24)31(40)43-32(2,3)4/h9-15,17-18,21-22,24H,5-8,16,19-20H2,1-4H3,(H,34,38)/t21?,24-/m0/s1
InChIKeyOTPXYMYPHMZORV-FHZUCYEKSA-N
MW589.69 g/mol
LogP5.19
Rot. Bonds9

About tert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate

tert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 175152590) has the molecular formula C32H39N5O6 and a molecular weight of 589.69 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID175152590
Molecular FormulaC32H39N5O6
Molecular Weight589.69 g/mol
Exact Mass589.29
IUPAC Nametert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(COc1ccc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1)N(C(=O)c1ccon1)c1ccc(C2CC2)cc1
InChIInChI=1S/C32H39N5O6/c1-21(37(30(39)28-15-17-42-35-28)25-11-9-23(10-12-25)22-7-8-22)20-41-26-13-14-27(33-18-26)29(38)34-24-6-5-16-36(19-24)31(40)43-32(2,3)4/h9-15,17-18,21-22,24H,5-8,16,19-20H2,1-4H3,(H,34,38)/t21?,24-/m0/s1
InChIKeyOTPXYMYPHMZORV-FHZUCYEKSA-N
XLogP5.19
TPSA127.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.69
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate
CID 75417290
tert-butyl 3-[(4-cyclopropylpyridine-2-carbonyl)amino]azetidine-1-carboxylate
CID 118946329
5-[(1R,2S)-1-(4-cyclopropylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-[(3S)-1-[(3R)-5-oxooxolane-3-carbonyl]piperidin-3-yl]pyridine-2-carboxamide
CID 126714058
tert-butyl (3R)-3-[[5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylate
CID 140907409
tert-butyl 3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 79489005
tert-butyl (3S)-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate
CID 71630557
tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 103524796
tert-butyl 3-[4-(2-methoxy-2-oxoethoxy)phenyl]piperidine-1-carboxylate
CID 139730433
tert-butyl 3-[(6-bromo-3-pyridinyl)methylamino]piperidine-1-carboxylate
CID 71630851
tert-butyl 3-[[5-(hydroxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 150009330
tert-butyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)piperidine-1-carboxylate
CID 71630800

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate (CID 175152590) is tert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate is CC(COc1ccc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1)N(C(=O)c1ccon1)c1ccc(C2CC2)cc1.
What is the InChIKey of tert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is OTPXYMYPHMZORV-FHZUCYEKSA-N. The full InChI is InChI=1S/C32H39N5O6/c1-21(37(30(39)28-15-17-42-35-28)25-11-9-23(10-12-25)22-7-8-22)20-41-26-13-14-27(33-18-26)29(38)34-24-6-5-16-36(19-24)31(40)43-32(2,3)4/h9-15,17-18,21-22,24H,5-8,16,19-20H2,1-4H3,(H,34,38)/t21?,24-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
tert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 589.69 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[5-[2-[4-cyclopropyl-N-(1,2-oxazole-3-carbonyl)anilino]propoxy]pyridine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 175152590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).