N-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide

C22H28N4O3 — CID 3220801

IUPACN-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H28N4O3/c1-2-29-20-11-7-6-10-19(20)25-21(27)16-26-14-12-18(13-15-26)24-22(28)23-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,25,27)(H2,23,24,28)
InChIKeyLMRHWJOFSCICFA-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.31
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide

N-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide (PubChem CID 3220801) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide
PubChem CID3220801
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H28N4O3/c1-2-29-20-11-7-6-10-19(20)25-21(27)16-26-14-12-18(13-15-26)24-22(28)23-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,25,27)(H2,23,24,28)
InChIKeyLMRHWJOFSCICFA-UHFFFAOYSA-N
XLogP3.31
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide (CID 3220801) is N-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide is CCOc1ccccc1NC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
The InChIKey is LMRHWJOFSCICFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-2-29-20-11-7-6-10-19(20)25-21(27)16-26-14-12-18(13-15-26)24-22(28)23-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,25,27)(H2,23,24,28).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
N-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 3220801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).