(3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide

C28H38N4O3 — CID 92872545

IUPAC(3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCN4CCCCC4)c3)C2)cc1
InChIInChI=1S/C28H38N4O3/c1-2-35-26-13-11-25(12-14-26)30-28(34)32-18-7-10-24(21-32)22-8-6-9-23(20-22)27(33)29-15-19-31-16-4-3-5-17-31/h6,8-9,11-14,20,24H,2-5,7,10,15-19,21H2,1H3,(H,29,33)(H,30,34)/t24-/m1/s1
InChIKeyTYQNKDGHNNJBGR-XMMPIXPASA-N
MW478.64 g/mol
LogP4.71
Rot. Bonds8

About (3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide

(3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 92872545) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is (3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID92872545
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC Name(3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCN4CCCCC4)c3)C2)cc1
InChIInChI=1S/C28H38N4O3/c1-2-35-26-13-11-25(12-14-26)30-28(34)32-18-7-10-24(21-32)22-8-6-9-23(20-22)27(33)29-15-19-31-16-4-3-5-17-31/h6,8-9,11-14,20,24H,2-5,7,10,15-19,21H2,1H3,(H,29,33)(H,30,34)/t24-/m1/s1
InChIKeyTYQNKDGHNNJBGR-XMMPIXPASA-N
XLogP4.71
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334034
N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 46334031
N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334076
3-[3-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334212
(3S)-N-(4-ethylphenyl)-3-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872769
N-(4-ethoxyphenyl)-3-[3-[(5-methylfuran-2-yl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334063
(3S)-N-(4-ethoxyphenyl)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872593
(3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 92872501
N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 46334029
3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334037
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808
(3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92891115

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 92872545) is (3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCN4CCCCC4)c3)C2)cc1.
What is the InChIKey of (3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is TYQNKDGHNNJBGR-XMMPIXPASA-N. The full InChI is InChI=1S/C28H38N4O3/c1-2-35-26-13-11-25(12-14-26)30-28(34)32-18-7-10-24(21-32)22-8-6-9-23(20-22)27(33)29-15-19-31-16-4-3-5-17-31/h6,8-9,11-14,20,24H,2-5,7,10,15-19,21H2,1H3,(H,29,33)(H,30,34)/t24-/m1/s1.
What are the key properties of (3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide?
(3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 92872545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).