6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one

C29H29NO4 — CID 161120647

IUPAC6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one
SMILESCOc1cccc([C@@H](c2ccccc2)C2CCN(C(=O)c3ccc4c(c3)CC(=O)CO4)CC2)c1
InChIInChI=1S/C29H29NO4/c1-33-26-9-5-8-22(18-26)28(20-6-3-2-4-7-20)21-12-14-30(15-13-21)29(32)23-10-11-27-24(16-23)17-25(31)19-34-27/h2-11,16,18,21,28H,12-15,17,19H2,1H3/t28-/m0/s1
InChIKeyUKXFCRRIEQDOEX-NDEPHWFRSA-N
MW455.55 g/mol
LogP4.88
Rot. Bonds5

About 6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one

6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one (PubChem CID 161120647) has the molecular formula C29H29NO4 and a molecular weight of 455.55 g/mol. Its IUPAC name is 6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one.

Molecular Properties

Compound Name6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one
PubChem CID161120647
Molecular FormulaC29H29NO4
Molecular Weight455.55 g/mol
Exact Mass455.21
IUPAC Name6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one
SMILESCOc1cccc([C@@H](c2ccccc2)C2CCN(C(=O)c3ccc4c(c3)CC(=O)CO4)CC2)c1
InChIInChI=1S/C29H29NO4/c1-33-26-9-5-8-22(18-26)28(20-6-3-2-4-7-20)21-12-14-30(15-13-21)29(32)23-10-11-27-24(16-23)17-25(31)19-34-27/h2-11,16,18,21,28H,12-15,17,19H2,1H3/t28-/m0/s1
InChIKeyUKXFCRRIEQDOEX-NDEPHWFRSA-N
XLogP4.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.55
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-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 6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one?
The IUPAC name of 6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one (CID 161120647) is 6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one.
What is the SMILES notation for 6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one?
The canonical SMILES for 6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one is COc1cccc([C@@H](c2ccccc2)C2CCN(C(=O)c3ccc4c(c3)CC(=O)CO4)CC2)c1.
What is the InChIKey of 6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one?
The InChIKey is UKXFCRRIEQDOEX-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H29NO4/c1-33-26-9-5-8-22(18-26)28(20-6-3-2-4-7-20)21-12-14-30(15-13-21)29(32)23-10-11-27-24(16-23)17-25(31)19-34-27/h2-11,16,18,21,28H,12-15,17,19H2,1H3/t28-/m0/s1.
What are the key properties of 6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one?
6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one has a molecular weight of 455.55 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one is sourced from PubChem (CID 161120647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).