tert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate

C24H34N2O4 — CID 139404154

IUPACtert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate
SMILESCn1cc(CCC(=O)OCCC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21
InChIInChI=1S/C24H34N2O4/c1-24(2,3)30-23(28)26-14-11-18(12-15-26)13-16-29-22(27)10-9-19-17-25(4)21-8-6-5-7-20(19)21/h5-8,17-18H,9-16H2,1-4H3
InChIKeyYFTNIHYRKBDKHV-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.69
Rot. Bonds6

About tert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate (PubChem CID 139404154) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is tert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate
PubChem CID139404154
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Nametert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate
SMILESCn1cc(CCC(=O)OCCC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21
InChIInChI=1S/C24H34N2O4/c1-24(2,3)30-23(28)26-14-11-18(12-15-26)13-16-29-22(27)10-9-19-17-25(4)21-8-6-5-7-20(19)21/h5-8,17-18H,9-16H2,1-4H3
InChIKeyYFTNIHYRKBDKHV-UHFFFAOYSA-N
XLogP4.69
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate
CID 71701683
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
2-(1-chloropiperidin-4-yl)ethyl (2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoate
CID 126498949
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(1-methylindol-3-yl)propanoate
CID 166669160
tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 134385677
methyl 3-[1-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1-oxobutan-2-yl]indole-1-carboxylate
CID 118386751
tert-butyl 4-(2-benzoyloxy-2,2-dideuterioethyl)piperidine-1-carboxylate
CID 155269118
methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 86859520
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate
CID 143255517

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate (CID 139404154) is tert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate is Cn1cc(CCC(=O)OCCC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21.
What is the InChIKey of tert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate?
The InChIKey is YFTNIHYRKBDKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-24(2,3)30-23(28)26-14-11-18(12-15-26)13-16-29-22(27)10-9-19-17-25(4)21-8-6-5-7-20(19)21/h5-8,17-18H,9-16H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate has a molecular weight of 414.55 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 139404154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).