2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide

C20H29BrN4O2 — CID 162644626

IUPAC2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)C(NC(=O)Nc2ccc(Br)cc2)C2CCCC2)CC1
InChIInChI=1S/C20H29BrN4O2/c1-25-12-10-17(11-13-25)22-19(26)18(14-4-2-3-5-14)24-20(27)23-16-8-6-15(21)7-9-16/h6-9,14,17-18H,2-5,10-13H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyMYSKNWOMJJLATG-UHFFFAOYSA-N
MW437.38 g/mol
LogP3.34
Rot. Bonds5

About 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide

2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 162644626) has the molecular formula C20H29BrN4O2 and a molecular weight of 437.38 g/mol. Its IUPAC name is 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID162644626
Molecular FormulaC20H29BrN4O2
Molecular Weight437.38 g/mol
Exact Mass436.15
IUPAC Name2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)C(NC(=O)Nc2ccc(Br)cc2)C2CCCC2)CC1
InChIInChI=1S/C20H29BrN4O2/c1-25-12-10-17(11-13-25)22-19(26)18(14-4-2-3-5-14)24-20(27)23-16-8-6-15(21)7-9-16/h6-9,14,17-18H,2-5,10-13H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyMYSKNWOMJJLATG-UHFFFAOYSA-N
XLogP3.34
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide (CID 162644626) is 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(NC(=O)C(NC(=O)Nc2ccc(Br)cc2)C2CCCC2)CC1.
What is the InChIKey of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is MYSKNWOMJJLATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN4O2/c1-25-12-10-17(11-13-25)22-19(26)18(14-4-2-3-5-14)24-20(27)23-16-8-6-15(21)7-9-16/h6-9,14,17-18H,2-5,10-13H2,1H3,(H,22,26)(H2,23,24,27).
What are the key properties of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide?
2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 437.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 162644626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).