tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate

C32H37N3O7 — CID 91306872

IUPACtert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C32H37N3O7/c1-32(2,3)42-31(38)35-18-16-23(17-19-35)41-28-20-24(40-5)14-15-25(28)30(37)34-27-9-7-6-8-26(27)33-29(36)21-10-12-22(39-4)13-11-21/h6-15,20,23H,16-19H2,1-5H3,(H,33,36)(H,34,37)
InChIKeyINHSWIOMKAHQJL-UHFFFAOYSA-N
MW575.66 g/mol
LogP5.99
Rot. Bonds8

About tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate

tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate (PubChem CID 91306872) has the molecular formula C32H37N3O7 and a molecular weight of 575.66 g/mol. Its IUPAC name is tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
PubChem CID91306872
Molecular FormulaC32H37N3O7
Molecular Weight575.66 g/mol
Exact Mass575.26
IUPAC Nametert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C32H37N3O7/c1-32(2,3)42-31(38)35-18-16-23(17-19-35)41-28-20-24(40-5)14-15-25(28)30(37)34-27-9-7-6-8-26(27)33-29(36)21-10-12-22(39-4)13-11-21/h6-15,20,23H,16-19H2,1-5H3,(H,33,36)(H,34,37)
InChIKeyINHSWIOMKAHQJL-UHFFFAOYSA-N
XLogP5.99
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.66
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate with MolForge

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Related Compounds

L 371257
CID 6918320
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4-(3-(Piperidin-1-yl)propoxy)-N-(3-(trifluoromethyl)phenyl)-2-hydroxybenzamide (11b)
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4-(3-Morpholinopropoxy)-N-(m-tolyl)-2-hydroxybenzamide (10a)
CID 91937890
N-[(2S)-1-[(3S)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-3-methylbutan-2-yl]-4-(3-methoxyphenoxy)benzamide
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N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(benzyloxy)benzamide
CID 2889687
1-{1-[2-Methoxy-4-(piperidin-4-yloxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CID 10837896
1-{1-[2-Methoxy-4-(1-piperidin-4-yl-ethoxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CID 19691006
1-(1-{4-[1-(1-Acetyl-piperidin-4-yl)-ethoxy]-2-methoxy-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CID 19691009
1-[1-(2,4-Dimethoxy-benzoyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CID 44275618
1-[1-(4-Benzyloxy-2-methoxy-benzoyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CID 44334990
1-{1-[2-Methoxy-4-(1,2,3,4-tetrahydro-naphthalen-1-yloxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CID 44335148

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate (CID 91306872) is tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate is COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate?
The InChIKey is INHSWIOMKAHQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O7/c1-32(2,3)42-31(38)35-18-16-23(17-19-35)41-28-20-24(40-5)14-15-25(28)30(37)34-27-9-7-6-8-26(27)33-29(36)21-10-12-22(39-4)13-11-21/h6-15,20,23H,16-19H2,1-5H3,(H,33,36)(H,34,37).
What are the key properties of tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate?
tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate has a molecular weight of 575.66 g/mol, XLogP of 5.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 91306872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).