1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide

C24H28N3OPS — CID 130439059

IUPAC1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide
SMILESO=P1(C(c2cccs2)N2CCCCC2)N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C24H28N3OPS/c28-29(24(23-15-10-20-30-23)25-16-8-3-9-17-25)26(21-11-4-1-5-12-21)18-19-27(29)22-13-6-2-7-14-22/h1-2,4-7,10-15,20,24H,3,8-9,16-19H2
InChIKeyKTVYPKJWJFUVQF-UHFFFAOYSA-N
MW437.55 g/mol
LogP6.45
Rot. Bonds5

About 1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide

1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide (PubChem CID 130439059) has the molecular formula C24H28N3OPS and a molecular weight of 437.55 g/mol. Its IUPAC name is 1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide.

Molecular Properties

Compound Name1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide
PubChem CID130439059
Molecular FormulaC24H28N3OPS
Molecular Weight437.55 g/mol
Exact Mass437.17
IUPAC Name1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide
SMILESO=P1(C(c2cccs2)N2CCCCC2)N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C24H28N3OPS/c28-29(24(23-15-10-20-30-23)25-16-8-3-9-17-25)26(21-11-4-1-5-12-21)18-19-27(29)22-13-6-2-7-14-22/h1-2,4-7,10-15,20,24H,3,8-9,16-19H2
InChIKeyKTVYPKJWJFUVQF-UHFFFAOYSA-N
XLogP6.45
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylphenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
CID 130439087
2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
CID 130439068
2-[(2-methylpiperidin-1-yl)-phenylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
CID 130439072
2-[(4-methylidenepiperidin-1-yl)-(2-methylphenyl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
CID 130439078
4-[(2-fluorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 130445022
4-[(4-methoxyphenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 130445023
4-[(4-methylidenepiperidin-1-yl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]benzonitrile
CID 130439053
(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
CID 9079352
4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid
CID 82134004
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide?
The IUPAC name of 1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide (CID 130439059) is 1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide.
What is the SMILES notation for 1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide?
The canonical SMILES for 1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide is O=P1(C(c2cccs2)N2CCCCC2)N(c2ccccc2)CCN1c1ccccc1.
What is the InChIKey of 1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide?
The InChIKey is KTVYPKJWJFUVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N3OPS/c28-29(24(23-15-10-20-30-23)25-16-8-3-9-17-25)26(21-11-4-1-5-12-21)18-19-27(29)22-13-6-2-7-14-22/h1-2,4-7,10-15,20,24H,3,8-9,16-19H2.
What are the key properties of 1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide?
1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide has a molecular weight of 437.55 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2-[piperidin-1-yl(thiophen-2-yl)methyl]-1,3,2λ5-diazaphospholidine 2-oxide is sourced from PubChem (CID 130439059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).