1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]

C29H30N2 — CID 57403720

IUPAC1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]
SMILESCCn1c2ccccc2c2cc(CCN3CCC4(C=Cc5ccccc54)CC3)ccc21
InChIInChI=1S/C29H30N2/c1-2-31-27-10-6-4-8-24(27)25-21-22(11-12-28(25)31)14-18-30-19-16-29(17-20-30)15-13-23-7-3-5-9-26(23)29/h3-13,15,21H,2,14,16-20H2,1H3
InChIKeySBLQTPNTLJBYDJ-UHFFFAOYSA-N
MW406.57 g/mol
LogP6.42
Rot. Bonds4

About 1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]

1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine] (PubChem CID 57403720) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine].

Molecular Properties

Compound Name1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]
PubChem CID57403720
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC Name1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]
SMILESCCn1c2ccccc2c2cc(CCN3CCC4(C=Cc5ccccc54)CC3)ccc21
InChIInChI=1S/C29H30N2/c1-2-31-27-10-6-4-8-24(27)25-21-22(11-12-28(25)31)14-18-30-19-16-29(17-20-30)15-13-23-7-3-5-9-26(23)29/h3-13,15,21H,2,14,16-20H2,1H3
InChIKeySBLQTPNTLJBYDJ-UHFFFAOYSA-N
XLogP6.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]?
The IUPAC name of 1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine] (CID 57403720) is 1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine].
What is the SMILES notation for 1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]?
The canonical SMILES for 1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine] is CCn1c2ccccc2c2cc(CCN3CCC4(C=Cc5ccccc54)CC3)ccc21.
What is the InChIKey of 1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]?
The InChIKey is SBLQTPNTLJBYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c1-2-31-27-10-6-4-8-24(27)25-21-22(11-12-28(25)31)14-18-30-19-16-29(17-20-30)15-13-23-7-3-5-9-26(23)29/h3-13,15,21H,2,14,16-20H2,1H3.
What are the key properties of 1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]?
1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine] has a molecular weight of 406.57 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine] is sourced from PubChem (CID 57403720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).