N-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide

C34H45N3OS — CID 70935247

IUPACN-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide
SMILESCCCN(CCCN1CCCCC1)CCNC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H45N3OS/c1-2-23-36(26-15-27-37-24-13-6-14-25-37)28-22-35-33(38)29-39-34(30-16-7-3-8-17-30,31-18-9-4-10-19-31)32-20-11-5-12-21-32/h3-5,7-12,16-21H,2,6,13-15,22-29H2,1H3,(H,35,38)
InChIKeyNBODERYHRVBVHG-UHFFFAOYSA-N
MW543.82 g/mol
LogP6.42
Rot. Bonds15

About N-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide

N-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide (PubChem CID 70935247) has the molecular formula C34H45N3OS and a molecular weight of 543.82 g/mol. Its IUPAC name is N-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide
PubChem CID70935247
Molecular FormulaC34H45N3OS
Molecular Weight543.82 g/mol
Exact Mass543.33
IUPAC NameN-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide
SMILESCCCN(CCCN1CCCCC1)CCNC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H45N3OS/c1-2-23-36(26-15-27-37-24-13-6-14-25-37)28-22-35-33(38)29-39-34(30-16-7-3-8-17-30,31-18-9-4-10-19-31)32-20-11-5-12-21-32/h3-5,7-12,16-21H,2,6,13-15,22-29H2,1H3,(H,35,38)
InChIKeyNBODERYHRVBVHG-UHFFFAOYSA-N
XLogP6.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.82
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide
CID 70935246
N-[2-[3-(4-phenylpiperidin-1-yl)propyl-propylamino]ethyl]-2-tritylsulfanylacetamide
CID 70935238
2-[6-(4-phenylpiperidin-1-yl)hexyl-(2-tritylsulfanylethyl)amino]-N-(2-tritylsulfanylethyl)acetamide
CID 89004759
2-phenylsulfanyl-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 39082370
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
2-[6-(1,3-dihydroisoindol-2-yl)hexyl-(2-tritylsulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
CID 89114676
2-[4-(3-tritylsulfanylpropyl)piperazin-1-yl]acetic acid
CID 126752612
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid
CID 116693516
N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56510564
2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61240014
1-(2-hydroxy-2-phenylpropyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 111334586

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide?
The IUPAC name of N-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide (CID 70935247) is N-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide.
What is the SMILES notation for N-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide?
The canonical SMILES for N-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide is CCCN(CCCN1CCCCC1)CCNC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide?
The InChIKey is NBODERYHRVBVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N3OS/c1-2-23-36(26-15-27-37-24-13-6-14-25-37)28-22-35-33(38)29-39-34(30-16-7-3-8-17-30,31-18-9-4-10-19-31)32-20-11-5-12-21-32/h3-5,7-12,16-21H,2,6,13-15,22-29H2,1H3,(H,35,38).
What are the key properties of N-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide?
N-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide has a molecular weight of 543.82 g/mol, XLogP of 6.42, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide is sourced from PubChem (CID 70935247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).