1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C32H35N5O2 — CID 26144982

IUPAC1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCn1cc(CN2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)c2ccccc21
InChIInChI=1S/C32H35N5O2/c1-34-23-27(28-13-5-6-14-29(28)34)24-35-19-15-32(16-20-35)30(38)36(18-8-12-25-11-7-17-33-21-25)31(39)37(32)22-26-9-3-2-4-10-26/h2-7,9-11,13-14,17,21,23H,8,12,15-16,18-20,22,24H2,1H3
InChIKeyOPOPEKUJCPFDGQ-UHFFFAOYSA-N
MW521.67 g/mol
LogP5.01
Rot. Bonds8

About 1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26144982) has the molecular formula C32H35N5O2 and a molecular weight of 521.67 g/mol. Its IUPAC name is 1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26144982
Molecular FormulaC32H35N5O2
Molecular Weight521.67 g/mol
Exact Mass521.28
IUPAC Name1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCn1cc(CN2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)c2ccccc21
InChIInChI=1S/C32H35N5O2/c1-34-23-27(28-13-5-6-14-29(28)34)24-35-19-15-32(16-20-35)30(38)36(18-8-12-25-11-7-17-33-21-25)31(39)37(32)22-26-9-3-2-4-10-26/h2-7,9-11,13-14,17,21,23H,8,12,15-16,18-20,22,24H2,1H3
InChIKeyOPOPEKUJCPFDGQ-UHFFFAOYSA-N
XLogP5.01
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.67
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26144982) is 1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cn1cc(CN2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OPOPEKUJCPFDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O2/c1-34-23-27(28-13-5-6-14-29(28)34)24-35-19-15-32(16-20-35)30(38)36(18-8-12-25-11-7-17-33-21-25)31(39)37(32)22-26-9-3-2-4-10-26/h2-7,9-11,13-14,17,21,23H,8,12,15-16,18-20,22,24H2,1H3.
What are the key properties of 1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 521.67 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26144982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).