4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide

C24H31N3O2 — CID 78834618

IUPAC4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C24H31N3O2/c28-22-10-8-19(9-11-22)20-12-16-27(17-13-20)24(29)25-18-23(26-14-4-5-15-26)21-6-2-1-3-7-21/h1-3,6-11,20,23,28H,4-5,12-18H2,(H,25,29)
InChIKeyIMLLNEHFONJLEG-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.12
Rot. Bonds5

About 4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide

4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 78834618) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
PubChem CID78834618
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C24H31N3O2/c28-22-10-8-19(9-11-22)20-12-16-27(17-13-20)24(29)25-18-23(26-14-4-5-15-26)21-6-2-1-3-7-21/h1-3,6-11,20,23,28H,4-5,12-18H2,(H,25,29)
InChIKeyIMLLNEHFONJLEG-UHFFFAOYSA-N
XLogP4.12
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide
CID 126432703
4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide
CID 125443318
2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 111427676
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide
CID 124846032
4-N-(2-hydroxyphenyl)-1-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 17486442
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide
CID 86916289
(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 107839602
2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 66166344
1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892520
1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 65465775
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 95907758

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide (CID 78834618) is 4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide is O=C(NCC(c1ccccc1)N1CCCC1)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is IMLLNEHFONJLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-22-10-8-19(9-11-22)20-12-16-27(17-13-20)24(29)25-18-23(26-14-4-5-15-26)21-6-2-1-3-7-21/h1-3,6-11,20,23,28H,4-5,12-18H2,(H,25,29).
What are the key properties of 4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 78834618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).