N-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide

C33H32N4O — CID 10481112

IUPACN-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)NC1CC2(CCN(Cc3ccc4c(c3)[nH]c3ccccc34)CC2)c2ccccc21
InChIInChI=1S/C33H32N4O/c38-32(20-23-11-15-34-16-12-23)36-31-21-33(28-7-3-1-6-27(28)31)13-17-37(18-14-33)22-24-9-10-26-25-5-2-4-8-29(25)35-30(26)19-24/h1-12,15-16,19,31,35H,13-14,17-18,20-22H2,(H,36,38)
InChIKeyHYITYNXNFXFNME-UHFFFAOYSA-N
MW500.65 g/mol
LogP6.05
Rot. Bonds5

About N-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide

N-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide (PubChem CID 10481112) has the molecular formula C33H32N4O and a molecular weight of 500.65 g/mol. Its IUPAC name is N-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide
PubChem CID10481112
Molecular FormulaC33H32N4O
Molecular Weight500.65 g/mol
Exact Mass500.26
IUPAC NameN-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)NC1CC2(CCN(Cc3ccc4c(c3)[nH]c3ccccc34)CC2)c2ccccc21
InChIInChI=1S/C33H32N4O/c38-32(20-23-11-15-34-16-12-23)36-31-21-33(28-7-3-1-6-27(28)31)13-17-37(18-14-33)22-24-9-10-26-25-5-2-4-8-29(25)35-30(26)19-24/h1-12,15-16,19,31,35H,13-14,17-18,20-22H2,(H,36,38)
InChIKeyHYITYNXNFXFNME-UHFFFAOYSA-N
XLogP6.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide (CID 10481112) is N-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide is O=C(Cc1ccncc1)NC1CC2(CCN(Cc3ccc4c(c3)[nH]c3ccccc34)CC2)c2ccccc21.
What is the InChIKey of N-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide?
The InChIKey is HYITYNXNFXFNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O/c38-32(20-23-11-15-34-16-12-23)36-31-21-33(28-7-3-1-6-27(28)31)13-17-37(18-14-33)22-24-9-10-26-25-5-2-4-8-29(25)35-30(26)19-24/h1-12,15-16,19,31,35H,13-14,17-18,20-22H2,(H,36,38).
What are the key properties of N-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide?
N-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide has a molecular weight of 500.65 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 10481112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).