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

C17H26N4O3 — CID 645447

IUPACN-(2-methoxyethyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H26N4O3/c1-24-12-9-18-16(22)13-21-10-7-15(8-11-21)20-17(23)19-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,18,22)(H2,19,20,23)
InChIKeyXMEJLVQODHAJET-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.04
Rot. Bonds7

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

N-(2-methoxyethyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide (PubChem CID 645447) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide
PubChem CID645447
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-(2-methoxyethyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H26N4O3/c1-24-12-9-18-16(22)13-21-10-7-15(8-11-21)20-17(23)19-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,18,22)(H2,19,20,23)
InChIKeyXMEJLVQODHAJET-UHFFFAOYSA-N
XLogP1.04
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide (CID 645447) is N-(2-methoxyethyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide is COCCNC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
The InChIKey is XMEJLVQODHAJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-24-12-9-18-16(22)13-21-10-7-15(8-11-21)20-17(23)19-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,18,22)(H2,19,20,23).
What are the key properties of N-(2-methoxyethyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 645447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).