tert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate

C23H33N3O5 — CID 143750169

IUPACtert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate
SMILESCOn1c(C(=O)N(C(C)C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c2ccccc21
InChIInChI=1S/C23H33N3O5/c1-15(2)25(16-10-9-13-24(14-16)22(29)31-23(3,4)5)21(28)19-20(27)17-11-7-8-12-18(17)26(19)30-6/h7-8,11-12,15-16,27H,9-10,13-14H2,1-6H3/t16-/m1/s1
InChIKeyHIVZXNRMVLGPBR-MRXNPFEDSA-N
MW431.53 g/mol
LogP3.66
Rot. Bonds4

About tert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate

tert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate (PubChem CID 143750169) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate
PubChem CID143750169
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Nametert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate
SMILESCOn1c(C(=O)N(C(C)C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c2ccccc21
InChIInChI=1S/C23H33N3O5/c1-15(2)25(16-10-9-13-24(14-16)22(29)31-23(3,4)5)21(28)19-20(27)17-11-7-8-12-18(17)26(19)30-6/h7-8,11-12,15-16,27H,9-10,13-14H2,1-6H3/t16-/m1/s1
InChIKeyHIVZXNRMVLGPBR-MRXNPFEDSA-N
XLogP3.66
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]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-[(3-hydroxy-4-methoxybenzoyl)-propan-2-ylamino]piperidine-1-carboxylate
CID 59223824
tert-butyl 3-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 143729534
tert-butyl (3R)-3-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 143729662
tert-butyl (3R)-3-[[3-(3-methoxypropoxy)-4-propan-2-yloxybenzoyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 59223963
tert-butyl (3R)-3-[[3-hydroxy-5-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(3-methoxypropoxy)-5-propan-2-yloxybenzoyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 158834111
tert-butyl (3R)-3-[(4-chloro-2-methyl-5-nitrobenzoyl)-propan-2-ylamino]piperidine-1-carboxylate
CID 58376495
tert-butyl (3R)-3-[[4-cyclohexyloxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-hydroxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 159393576
tert-butyl 3-[[3-oxo-7-(trifluoromethyl)spiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 77442918
tert-butyl (3R)-3-[[4-hydroxy-5-(3-methoxypropoxy)-2-propylbenzoyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 70954315
tert-butyl (3R)-3-[[1-(4-methoxybutyl)-3,3-dimethyl-2-oxoindole-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 67331374
tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate
CID 167963679
tert-butyl (3R)-3-[[4-(ethylamino)-5-nitro-2-(trifluoromethyl)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 58376069

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate (CID 143750169) is tert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate is COn1c(C(=O)N(C(C)C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c2ccccc21.
What is the InChIKey of tert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate?
The InChIKey is HIVZXNRMVLGPBR-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-15(2)25(16-10-9-13-24(14-16)22(29)31-23(3,4)5)21(28)19-20(27)17-11-7-8-12-18(17)26(19)30-6/h7-8,11-12,15-16,27H,9-10,13-14H2,1-6H3/t16-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate has a molecular weight of 431.53 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(3-hydroxy-1-methoxyindole-2-carbonyl)-propan-2-ylamino]piperidine-1-carboxylate is sourced from PubChem (CID 143750169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).