3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide

C19H28N4O2 — CID 75370045

IUPAC3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide
SMILESCC(C)=CCN1CCC(NC(=O)NCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(2)6-9-23-10-7-17(8-11-23)22-19(25)21-13-15-4-3-5-16(12-15)18(20)24/h3-6,12,17H,7-11,13H2,1-2H3,(H2,20,24)(H2,21,22,25)
InChIKeyFQYIUPIVOHBLOV-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.02
Rot. Bonds6

About 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide

3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide (PubChem CID 75370045) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide
PubChem CID75370045
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide
SMILESCC(C)=CCN1CCC(NC(=O)NCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(2)6-9-23-10-7-17(8-11-23)22-19(25)21-13-15-4-3-5-16(12-15)18(20)24/h3-6,12,17H,7-11,13H2,1-2H3,(H2,20,24)(H2,21,22,25)
InChIKeyFQYIUPIVOHBLOV-UHFFFAOYSA-N
XLogP2.02
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide
CID 56802993
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea
CID 75371042
3-[[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]carbamoylamino]methyl]benzoic acid
CID 146137624
1-(1-benzylpiperidin-4-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886852
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide
CID 56803510
1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 51122734
3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide
CID 49292646
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[[N'-methyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]carbamimidoyl]amino]methyl]benzamide
CID 111923861
3-[[[N-[1-(4-bromophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111917921

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide?
The IUPAC name of 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide (CID 75370045) is 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide.
What is the SMILES notation for 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide?
The canonical SMILES for 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide is CC(C)=CCN1CCC(NC(=O)NCc2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide?
The InChIKey is FQYIUPIVOHBLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(2)6-9-23-10-7-17(8-11-23)22-19(25)21-13-15-4-3-5-16(12-15)18(20)24/h3-6,12,17H,7-11,13H2,1-2H3,(H2,20,24)(H2,21,22,25).
What are the key properties of 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide?
3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide has a molecular weight of 344.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide is sourced from PubChem (CID 75370045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).