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

C21H26N4O2 — CID 649315

IUPACN-(2-methylphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide
SMILESCc1ccccc1NC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c1-16-7-5-6-10-19(16)24-20(26)15-25-13-11-18(12-14-25)23-21(27)22-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3,(H,24,26)(H2,22,23,27)
InChIKeyVDVYRMBFVRSAHJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.22
Rot. Bonds5

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

N-(2-methylphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide (PubChem CID 649315) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide
PubChem CID649315
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC NameN-(2-methylphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide
SMILESCc1ccccc1NC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c1-16-7-5-6-10-19(16)24-20(26)15-25-13-11-18(12-14-25)23-21(27)22-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3,(H,24,26)(H2,22,23,27)
InChIKeyVDVYRMBFVRSAHJ-UHFFFAOYSA-N
XLogP3.22
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide (CID 649315) is N-(2-methylphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide is Cc1ccccc1NC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
The InChIKey is VDVYRMBFVRSAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-7-5-6-10-19(16)24-20(26)15-25-13-11-18(12-14-25)23-21(27)22-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3,(H,24,26)(H2,22,23,27).
What are the key properties of N-(2-methylphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
N-(2-methylphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 649315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).