(4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

C34H34N4O2 — CID 97034536

IUPAC(4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESCn1cc(C2(c3cn(C)c4ccccc34)CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)c2ccccc21
InChIInChI=1S/C34H34N4O2/c1-35-22-28(26-12-6-8-14-30(26)35)34(29-23-36(2)31-15-9-7-13-27(29)31)16-18-37(19-17-34)33(40)24-20-32(39)38(21-24)25-10-4-3-5-11-25/h3-15,22-24H,16-21H2,1-2H3/t24-/m0/s1
InChIKeyKDSGHETUZLKJHD-DEOSSOPVSA-N
MW530.67 g/mol
LogP5.63
Rot. Bonds4

About (4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

(4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 97034536) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is (4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID97034536
Molecular FormulaC34H34N4O2
Molecular Weight530.67 g/mol
Exact Mass530.27
IUPAC Name(4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESCn1cc(C2(c3cn(C)c4ccccc34)CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)c2ccccc21
InChIInChI=1S/C34H34N4O2/c1-35-22-28(26-12-6-8-14-30(26)35)34(29-23-36(2)31-15-9-7-13-27(29)31)16-18-37(19-17-34)33(40)24-20-32(39)38(21-24)25-10-4-3-5-11-25/h3-15,22-24H,16-21H2,1-2H3/t24-/m0/s1
InChIKeyKDSGHETUZLKJHD-DEOSSOPVSA-N
XLogP5.63
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 97034536) is (4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is Cn1cc(C2(c3cn(C)c4ccccc34)CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)c2ccccc21.
What is the InChIKey of (4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is KDSGHETUZLKJHD-DEOSSOPVSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-35-22-28(26-12-6-8-14-30(26)35)34(29-23-36(2)31-15-9-7-13-27(29)31)16-18-37(19-17-34)33(40)24-20-32(39)38(21-24)25-10-4-3-5-11-25/h3-15,22-24H,16-21H2,1-2H3/t24-/m0/s1.
What are the key properties of (4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
(4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 530.67 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 97034536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).