[(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid

C32H39N3O3 — CID 70098338

IUPAC[(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESC[C@@H](NC(=O)O)C(=O)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H39N3O3/c1-25(34-31(37)38)30(36)33-24-32(28-14-7-3-8-15-28,29-16-9-4-10-17-29)20-11-21-35-22-18-27(19-23-35)26-12-5-2-6-13-26/h2-10,12-17,25,27,34H,11,18-24H2,1H3,(H,33,36)(H,37,38)/t25-/m1/s1
InChIKeySWGAEGKPMZJSHS-RUZDIDTESA-N
MW513.68 g/mol
LogP5.40
Rot. Bonds11

About [(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid

[(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 70098338) has the molecular formula C32H39N3O3 and a molecular weight of 513.68 g/mol. Its IUPAC name is [(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid
PubChem CID70098338
Molecular FormulaC32H39N3O3
Molecular Weight513.68 g/mol
Exact Mass513.30
IUPAC Name[(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESC[C@@H](NC(=O)O)C(=O)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H39N3O3/c1-25(34-31(37)38)30(36)33-24-32(28-14-7-3-8-15-28,29-16-9-4-10-17-29)20-11-21-35-22-18-27(19-23-35)26-12-5-2-6-13-26/h2-10,12-17,25,27,34H,11,18-24H2,1H3,(H,33,36)(H,37,38)/t25-/m1/s1
InChIKeySWGAEGKPMZJSHS-RUZDIDTESA-N
XLogP5.40
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid with MolForge

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Related Compounds

tert-butyl N-[2-[[2,2-bis(4-chlorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]amino]-2-oxoethyl]carbamate
CID 70100459
N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 142052199
N-[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]naphthalene-2-sulfonamide
CID 19045660
(2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide
CID 125177370
[1-hydroxy-4-(4-phenylpiperidin-1-yl)-1-phosphonobutyl]phosphonic acid
CID 11047477
N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane
CID 142899302
6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
CID 62133412
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
2-amino-2-methyl-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131244
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
2-methyl-2-(methylamino)-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131245
N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95280817

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid (CID 70098338) is [(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid is C[C@@H](NC(=O)O)C(=O)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is SWGAEGKPMZJSHS-RUZDIDTESA-N. The full InChI is InChI=1S/C32H39N3O3/c1-25(34-31(37)38)30(36)33-24-32(28-14-7-3-8-15-28,29-16-9-4-10-17-29)20-11-21-35-22-18-27(19-23-35)26-12-5-2-6-13-26/h2-10,12-17,25,27,34H,11,18-24H2,1H3,(H,33,36)(H,37,38)/t25-/m1/s1.
What are the key properties of [(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid?
[(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 513.68 g/mol, XLogP of 5.40, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 70098338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).