N-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide

C23H29N3O4 — CID 126469868

IUPACN-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)NC(=O)C2CCN(CCc3cccc(O)c3)CC2)cc1
InChIInChI=1S/C23H29N3O4/c1-2-30-21-8-6-19(7-9-21)24-23(29)25-22(28)18-11-14-26(15-12-18)13-10-17-4-3-5-20(27)16-17/h3-9,16,18,27H,2,10-15H2,1H3,(H2,24,25,28,29)
InChIKeyGAYHMHDNGSUFHA-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.39
Rot. Bonds7

About N-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide

N-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 126469868) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID126469868
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)NC(=O)C2CCN(CCc3cccc(O)c3)CC2)cc1
InChIInChI=1S/C23H29N3O4/c1-2-30-21-8-6-19(7-9-21)24-23(29)25-22(28)18-11-14-26(15-12-18)13-10-17-4-3-5-20(27)16-17/h3-9,16,18,27H,2,10-15H2,1H3,(H2,24,25,28,29)
InChIKeyGAYHMHDNGSUFHA-UHFFFAOYSA-N
XLogP3.39
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide (CID 126469868) is N-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide is CCOc1ccc(NC(=O)NC(=O)C2CCN(CCc3cccc(O)c3)CC2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is GAYHMHDNGSUFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-2-30-21-8-6-19(7-9-21)24-23(29)25-22(28)18-11-14-26(15-12-18)13-10-17-4-3-5-20(27)16-17/h3-9,16,18,27H,2,10-15H2,1H3,(H2,24,25,28,29).
What are the key properties of N-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide?
N-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 126469868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).