ethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate

C26H39N3O2 — CID 134578494

IUPACethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate
SMILESCCOC(=O)NCc1cc2ccccc2n1C1CCN(C2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C26H39N3O2/c1-4-31-26(30)27-18-24-17-21-7-5-6-8-25(21)29(24)23-13-15-28(16-14-23)22-11-9-20(10-12-22)19(2)3/h5-8,17,19-20,22-23H,4,9-16,18H2,1-3H3,(H,27,30)
InChIKeyWMQOWAAURKEWQE-UHFFFAOYSA-N
MW425.62 g/mol
LogP5.74
Rot. Bonds6

About ethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate

ethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate (PubChem CID 134578494) has the molecular formula C26H39N3O2 and a molecular weight of 425.62 g/mol. Its IUPAC name is ethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate
PubChem CID134578494
Molecular FormulaC26H39N3O2
Molecular Weight425.62 g/mol
Exact Mass425.30
IUPAC Nameethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate
SMILESCCOC(=O)NCc1cc2ccccc2n1C1CCN(C2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C26H39N3O2/c1-4-31-26(30)27-18-24-17-21-7-5-6-8-25(21)29(24)23-13-15-28(16-14-23)22-11-9-20(10-12-22)19(2)3/h5-8,17,19-20,22-23H,4,9-16,18H2,1-3H3,(H,27,30)
InChIKeyWMQOWAAURKEWQE-UHFFFAOYSA-N
XLogP5.74
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate?
The IUPAC name of ethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate (CID 134578494) is ethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate?
The canonical SMILES for ethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate is CCOC(=O)NCc1cc2ccccc2n1C1CCN(C2CCC(C(C)C)CC2)CC1.
What is the InChIKey of ethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate?
The InChIKey is WMQOWAAURKEWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O2/c1-4-31-26(30)27-18-24-17-21-7-5-6-8-25(21)29(24)23-13-15-28(16-14-23)22-11-9-20(10-12-22)19(2)3/h5-8,17,19-20,22-23H,4,9-16,18H2,1-3H3,(H,27,30).
What are the key properties of ethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate?
ethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate has a molecular weight of 425.62 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate is sourced from PubChem (CID 134578494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).