tert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate

C27H32N4O4 — CID 22135093

IUPACtert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)CN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc2)CC1
InChIInChI=1S/C27H32N4O4/c1-27(2,3)35-26(34)30-15-12-21(13-16-30)29-24(32)18-31(22-7-5-4-6-8-22)25(33)20-10-9-19-11-14-28-23(19)17-20/h4-11,14,17,21,28H,12-13,15-16,18H2,1-3H3,(H,29,32)
InChIKeyCMMRNQOKCJXEDM-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.33
Rot. Bonds5

About tert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate (PubChem CID 22135093) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is tert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate
PubChem CID22135093
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Nametert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)CN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc2)CC1
InChIInChI=1S/C27H32N4O4/c1-27(2,3)35-26(34)30-15-12-21(13-16-30)29-24(32)18-31(22-7-5-4-6-8-22)25(33)20-10-9-19-11-14-28-23(19)17-20/h4-11,14,17,21,28H,12-13,15-16,18H2,1-3H3,(H,29,32)
InChIKeyCMMRNQOKCJXEDM-UHFFFAOYSA-N
XLogP4.33
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

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CID 113167125
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CID 58602980
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
tert-butyl 4-[[[5-(1H-indol-6-ylamino)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 163576630
tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976
tert-butyl 4-[[[2-(cyclohexylamino)pyrimidin-4-yl]-(naphthalene-2-carbonyl)amino]methyl]piperidine-1-carboxylate
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tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate
CID 52775607
tert-butyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]piperidine-1-carboxylate
CID 55984259
tert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate
CID 59983218

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate (CID 22135093) is tert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)CN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is CMMRNQOKCJXEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-27(2,3)35-26(34)30-15-12-21(13-16-30)29-24(32)18-31(22-7-5-4-6-8-22)25(33)20-10-9-19-11-14-28-23(19)17-20/h4-11,14,17,21,28H,12-13,15-16,18H2,1-3H3,(H,29,32).
What are the key properties of tert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 476.58 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 22135093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).