(3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one

C24H34N2O — CID 67189413

IUPAC(3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one
SMILESC/C=C1\C(=O)N(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C24H34N2O/c1-2-21-22-12-8-9-13-23(22)26(24(21)27)20-14-16-25(17-15-20)18-19-10-6-4-3-5-7-11-19/h2,8-9,12-13,19-20H,3-7,10-11,14-18H2,1H3/b21-2-
InChIKeyOVQQQOSKVXWEGY-SEJLVSSPSA-N
MW366.55 g/mol
LogP5.26
Rot. Bonds3

About (3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one

(3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one (PubChem CID 67189413) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is (3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one.

Molecular Properties

Compound Name(3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one
PubChem CID67189413
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name(3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one
SMILESC/C=C1\C(=O)N(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C24H34N2O/c1-2-21-22-12-8-9-13-23(22)26(24(21)27)20-14-16-25(17-15-20)18-19-10-6-4-3-5-7-11-19/h2,8-9,12-13,19-20H,3-7,10-11,14-18H2,1H3/b21-2-
InChIKeyOVQQQOSKVXWEGY-SEJLVSSPSA-N
XLogP5.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one?
The IUPAC name of (3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one (CID 67189413) is (3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one.
What is the SMILES notation for (3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one?
The canonical SMILES for (3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one is C/C=C1\C(=O)N(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21.
What is the InChIKey of (3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one?
The InChIKey is OVQQQOSKVXWEGY-SEJLVSSPSA-N. The full InChI is InChI=1S/C24H34N2O/c1-2-21-22-12-8-9-13-23(22)26(24(21)27)20-14-16-25(17-15-20)18-19-10-6-4-3-5-7-11-19/h2,8-9,12-13,19-20H,3-7,10-11,14-18H2,1H3/b21-2-.
What are the key properties of (3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one?
(3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one has a molecular weight of 366.55 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylideneindol-2-one is sourced from PubChem (CID 67189413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).