N-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide

C22H27N3O3 — CID 20888642

IUPACN-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide
SMILESO=C(NC1CCCC1)c1ccc(CNc2c(N3CCCCC3)c(=O)c2=O)cc1
InChIInChI=1S/C22H27N3O3/c26-20-18(19(21(20)27)25-12-4-1-5-13-25)23-14-15-8-10-16(11-9-15)22(28)24-17-6-2-3-7-17/h8-11,17,23H,1-7,12-14H2,(H,24,28)
InChIKeyDXYHCMVOODPJSG-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.56
Rot. Bonds6

About N-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide

N-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide (PubChem CID 20888642) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide
PubChem CID20888642
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide
SMILESO=C(NC1CCCC1)c1ccc(CNc2c(N3CCCCC3)c(=O)c2=O)cc1
InChIInChI=1S/C22H27N3O3/c26-20-18(19(21(20)27)25-12-4-1-5-13-25)23-14-15-8-10-16(11-9-15)22(28)24-17-6-2-3-7-17/h8-11,17,23H,1-7,12-14H2,(H,24,28)
InChIKeyDXYHCMVOODPJSG-UHFFFAOYSA-N
XLogP2.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide
CID 124772254
4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide
CID 46374719
4-[[[2-(cyclohexylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]-N-(4-methylcyclohexyl)benzamide
CID 15945491
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide
CID 29206004
4-[[[2-(cyclohexylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20889227
N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 53285985
N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99949383
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 94467987
N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108563

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide?
The IUPAC name of N-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide (CID 20888642) is N-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide is O=C(NC1CCCC1)c1ccc(CNc2c(N3CCCCC3)c(=O)c2=O)cc1.
What is the InChIKey of N-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide?
The InChIKey is DXYHCMVOODPJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-20-18(19(21(20)27)25-12-4-1-5-13-25)23-14-15-8-10-16(11-9-15)22(28)24-17-6-2-3-7-17/h8-11,17,23H,1-7,12-14H2,(H,24,28).
What are the key properties of N-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide?
N-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide is sourced from PubChem (CID 20888642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).