3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide

C19H30N4O5 — CID 73147815

IUPAC3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide
SMILESO=C(NC1CCCCC1)NC1C=C(C(=O)NC2CCCNC2=O)CC(O)C1O
InChIInChI=1S/C19H30N4O5/c24-15-10-11(17(26)22-13-7-4-8-20-18(13)27)9-14(16(15)25)23-19(28)21-12-5-2-1-3-6-12/h9,12-16,24-25H,1-8,10H2,(H,20,27)(H,22,26)(H2,21,23,28)
InChIKeyYICBMGXUFIKTNG-UHFFFAOYSA-N
MW394.47 g/mol
LogP-0.57
Rot. Bonds4

About 3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide

3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide (PubChem CID 73147815) has the molecular formula C19H30N4O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide
PubChem CID73147815
Molecular FormulaC19H30N4O5
Molecular Weight394.47 g/mol
Exact Mass394.22
IUPAC Name3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide
SMILESO=C(NC1CCCCC1)NC1C=C(C(=O)NC2CCCNC2=O)CC(O)C1O
InChIInChI=1S/C19H30N4O5/c24-15-10-11(17(26)22-13-7-4-8-20-18(13)27)9-14(16(15)25)23-19(28)21-12-5-2-1-3-6-12/h9,12-16,24-25H,1-8,10H2,(H,20,27)(H,22,26)(H2,21,23,28)
InChIKeyYICBMGXUFIKTNG-UHFFFAOYSA-N
XLogP-0.57
TPSA139.79 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 5-0.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea
CID 110472697
(3S,4R,5R)-4,5-dihydroxy-N-[(3R)-2-oxopiperidin-3-yl]-3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexene-1-carboxamide
CID 162804490
(3R,4R,5R)-4,5-dihydroxy-N-[(3S)-2-oxopiperidin-3-yl]-3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexene-1-carboxamide
CID 11866339
4,5-dihydroxy-3-(3-methyl-4-methylsulfanylphenoxy)-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide
CID 3863558
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(cyclohexylcarbamoylamino)-4,5-dihydroxycyclohexene-1-carboxamide
CID 3711533
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
5-hydroxy-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 55258653
3-amino-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 113447702

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide (CID 73147815) is 3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide is O=C(NC1CCCCC1)NC1C=C(C(=O)NC2CCCNC2=O)CC(O)C1O.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide?
The InChIKey is YICBMGXUFIKTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O5/c24-15-10-11(17(26)22-13-7-4-8-20-18(13)27)9-14(16(15)25)23-19(28)21-12-5-2-1-3-6-12/h9,12-16,24-25H,1-8,10H2,(H,20,27)(H,22,26)(H2,21,23,28).
What are the key properties of 3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide?
3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide has a molecular weight of 394.47 g/mol, XLogP of -0.57, 4 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide is sourced from PubChem (CID 73147815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).