N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide

C40H53N3O2 — CID 11767229

IUPACN-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide
SMILESO=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C40H53N3O2/c44-38(42-30-34-19-16-28-43(32-34)31-33-17-6-1-7-18-33)26-14-5-15-27-41-39(45)29-40(35-20-8-2-9-21-35,36-22-10-3-11-23-36)37-24-12-4-13-25-37/h2-4,8-13,20-25,33-34H,1,5-7,14-19,26-32H2,(H,41,45)(H,42,44)/t34-/m1/s1
InChIKeySTUWFURQGSMWES-UUWRZZSWSA-N
MW607.88 g/mol
LogP7.50
Rot. Bonds15

About N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide

N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide (PubChem CID 11767229) has the molecular formula C40H53N3O2 and a molecular weight of 607.88 g/mol. Its IUPAC name is N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide.

Molecular Properties

Compound NameN-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide
PubChem CID11767229
Molecular FormulaC40H53N3O2
Molecular Weight607.88 g/mol
Exact Mass607.41
IUPAC NameN-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide
SMILESO=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C40H53N3O2/c44-38(42-30-34-19-16-28-43(32-34)31-33-17-6-1-7-18-33)26-14-5-15-27-41-39(45)29-40(35-20-8-2-9-21-35,36-22-10-3-11-23-36)37-24-12-4-13-25-37/h2-4,8-13,20-25,33-34H,1,5-7,14-19,26-32H2,(H,41,45)(H,42,44)/t34-/m1/s1
InChIKeySTUWFURQGSMWES-UUWRZZSWSA-N
XLogP7.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.88
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide with MolForge

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Related Compounds

N-phenethyladamantane-1-carboxamide
CID 2787235
Cinperene
CID 6433620
N-(3,3-diphenylpropyl)-2-phenylacetamide
CID 1293167
(2R)-N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-1-[(2S)-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 10919522
Banyu CPTP
CID 11039424
3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide
CID 2882129
N-(3,3-diphenylpropyl)-2,2-diphenylacetamide
CID 4225440
2,2-diphenyl-N-(3-phenylpropyl)acetamide
CID 2385541
N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-phenylpropan-2-yl]adamantane-1-carboxamide;dihydrochloride
CID 10460034
(2S)-N-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carboxamide
CID 11061341
N-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide
CID 11828362
2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 44522207

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide?
The IUPAC name of N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide (CID 11767229) is N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide.
What is the SMILES notation for N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide?
The canonical SMILES for N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide is O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1.
What is the InChIKey of N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide?
The InChIKey is STUWFURQGSMWES-UUWRZZSWSA-N. The full InChI is InChI=1S/C40H53N3O2/c44-38(42-30-34-19-16-28-43(32-34)31-33-17-6-1-7-18-33)26-14-5-15-27-41-39(45)29-40(35-20-8-2-9-21-35,36-22-10-3-11-23-36)37-24-12-4-13-25-37/h2-4,8-13,20-25,33-34H,1,5-7,14-19,26-32H2,(H,41,45)(H,42,44)/t34-/m1/s1.
What are the key properties of N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide?
N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide has a molecular weight of 607.88 g/mol, XLogP of 7.50, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide is sourced from PubChem (CID 11767229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).