3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide

C22H34N4O3 — CID 56525571

IUPAC3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H34N4O3/c1-29-20-10-6-5-9-19(20)25-21(27)13-16-26-14-11-18(12-15-26)24-22(28)23-17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,25,27)(H2,23,24,28)
InChIKeyKGGAHTGYWMSYHE-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.12
Rot. Bonds7

About 3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide

3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 56525571) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID56525571
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H34N4O3/c1-29-20-10-6-5-9-19(20)25-21(27)13-16-26-14-11-18(12-15-26)24-22(28)23-17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,25,27)(H2,23,24,28)
InChIKeyKGGAHTGYWMSYHE-UHFFFAOYSA-N
XLogP3.12
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 40588524
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide
CID 97250421
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)propanamide
CID 87015722
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
N-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylamino)acetamide
CID 44753817
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide (CID 56525571) is 3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCN1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is KGGAHTGYWMSYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-29-20-10-6-5-9-19(20)25-21(27)13-16-26-14-11-18(12-15-26)24-22(28)23-17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,25,27)(H2,23,24,28).
What are the key properties of 3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide?
3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 402.54 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 56525571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).