N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide

C27H30N4O3 — CID 46334029

IUPACN-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NCc4cccnc4)c3)C2)cc1
InChIInChI=1S/C27H30N4O3/c1-2-34-25-12-10-24(11-13-25)30-27(33)31-15-5-9-23(19-31)21-7-3-8-22(16-21)26(32)29-18-20-6-4-14-28-17-20/h3-4,6-8,10-14,16-17,23H,2,5,9,15,18-19H2,1H3,(H,29,32)(H,30,33)
InChIKeyZWVXYAYHOYKITJ-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.82
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide

N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 46334029) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID46334029
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NCc4cccnc4)c3)C2)cc1
InChIInChI=1S/C27H30N4O3/c1-2-34-25-12-10-24(11-13-25)30-27(33)31-15-5-9-23(19-31)21-7-3-8-22(16-21)26(32)29-18-20-6-4-14-28-17-20/h3-4,6-8,10-14,16-17,23H,2,5,9,15,18-19H2,1H3,(H,29,32)(H,30,33)
InChIKeyZWVXYAYHOYKITJ-UHFFFAOYSA-N
XLogP4.82
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-ethoxyphenyl)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872593
N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 46334031
N-(4-ethoxyphenyl)-3-[3-[(5-methylfuran-2-yl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334063
3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334034
(3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872545
(3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 92872501
(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872821
(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872664
N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334076
3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334037
N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334023
(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 92872490

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 46334029) is N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NCc4cccnc4)c3)C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is ZWVXYAYHOYKITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-2-34-25-12-10-24(11-13-25)30-27(33)31-15-5-9-23(19-31)21-7-3-8-22(16-21)26(32)29-18-20-6-4-14-28-17-20/h3-4,6-8,10-14,16-17,23H,2,5,9,15,18-19H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide?
N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 46334029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).