N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide

C22H27N3O4 — CID 3053611

IUPACN-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)NC(=O)CN2CCC(O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O4/c1-2-29-19-10-8-18(9-11-19)23-21(27)24-20(26)16-25-14-12-22(28,13-15-25)17-6-4-3-5-7-17/h3-11,28H,2,12-16H2,1H3,(H2,23,24,26,27)
InChIKeyWBMVMODRKQPEII-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.72
Rot. Bonds6

About N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide

N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide (PubChem CID 3053611) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
PubChem CID3053611
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)NC(=O)CN2CCC(O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O4/c1-2-29-19-10-8-18(9-11-19)23-21(27)24-20(26)16-25-14-12-22(28,13-15-25)17-6-4-3-5-7-17/h3-11,28H,2,12-16H2,1H3,(H2,23,24,26,27)
InChIKeyWBMVMODRKQPEII-UHFFFAOYSA-N
XLogP2.72
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 3053609
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-benzoylphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
CID 22448043
2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150
(4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide
CID 95100675
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)acetamide
CID 6469271
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid
CID 67084559
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
2-[[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]methyl]prop-2-enoic acid
CID 166356607

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide (CID 3053611) is N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide is CCOc1ccc(NC(=O)NC(=O)CN2CCC(O)(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
The InChIKey is WBMVMODRKQPEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-2-29-19-10-8-18(9-11-19)23-21(27)24-20(26)16-25-14-12-22(28,13-15-25)17-6-4-3-5-7-17/h3-11,28H,2,12-16H2,1H3,(H2,23,24,26,27).
What are the key properties of N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 3053611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).