[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

C34H34N4O2 — CID 122190658

IUPAC[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C34H34N4O2/c39-33(37-17-13-23(14-18-37)29-21-35-31-7-3-1-5-27(29)31)25-9-11-26(12-10-25)34(40)38-19-15-24(16-20-38)30-22-36-32-8-4-2-6-28(30)32/h1-12,21-24,35-36H,13-20H2
InChIKeyKVTCTEKBVGLZAX-UHFFFAOYSA-N
MW530.67 g/mol
LogP6.69
Rot. Bonds4

About [4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 122190658) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is [4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID122190658
Molecular FormulaC34H34N4O2
Molecular Weight530.67 g/mol
Exact Mass530.27
IUPAC Name[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C34H34N4O2/c39-33(37-17-13-23(14-18-37)29-21-35-31-7-3-1-5-27(29)31)25-9-11-26(12-10-25)34(40)38-19-15-24(16-20-38)30-22-36-32-8-4-2-6-28(30)32/h1-12,21-24,35-36H,13-20H2
InChIKeyKVTCTEKBVGLZAX-UHFFFAOYSA-N
XLogP6.69
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (CID 122190658) is [4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is O=C(c1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of [4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is KVTCTEKBVGLZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O2/c39-33(37-17-13-23(14-18-37)29-21-35-31-7-3-1-5-27(29)31)25-9-11-26(12-10-25)34(40)38-19-15-24(16-20-38)30-22-36-32-8-4-2-6-28(30)32/h1-12,21-24,35-36H,13-20H2.
What are the key properties of [4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 530.67 g/mol, XLogP of 6.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 122190658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).