3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide

C26H30N4O2S — CID 166381990

IUPAC3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCCN1Cc1ccccc1)Nc1cccc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C26H30N4O2S/c31-25(27-18-24-13-7-15-33-24)21-10-6-11-22(16-21)29-26(32)28-17-23-12-4-5-14-30(23)19-20-8-2-1-3-9-20/h1-3,6-11,13,15-16,23H,4-5,12,14,17-19H2,(H,27,31)(H2,28,29,32)
InChIKeyHVZYQPDNUKFIIQ-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.85
Rot. Bonds8

About 3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide

3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 166381990) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID166381990
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC Name3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCCN1Cc1ccccc1)Nc1cccc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C26H30N4O2S/c31-25(27-18-24-13-7-15-33-24)21-10-6-11-22(16-21)29-26(32)28-17-23-12-4-5-14-30(23)19-20-8-2-1-3-9-20/h1-3,6-11,13,15-16,23H,4-5,12,14,17-19H2,(H,27,31)(H2,28,29,32)
InChIKeyHVZYQPDNUKFIIQ-UHFFFAOYSA-N
XLogP4.85
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide
CID 136525958
3-[(1-benzyl-4-methylpyrrolidin-3-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381978
3-[[1-benzyl-4-(hydroxymethyl)piperidin-3-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166382027
2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 71897626
methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate
CID 60595175
3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 167903850
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide
CID 166382007
1-(3-acetylphenyl)-3-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]urea
CID 95155114
1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86856600
3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 167922292
1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea
CID 120902751

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide (CID 166381990) is 3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide is O=C(NCC1CCCCN1Cc1ccccc1)Nc1cccc(C(=O)NCc2cccs2)c1.
What is the InChIKey of 3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is HVZYQPDNUKFIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c31-25(27-18-24-13-7-15-33-24)21-10-6-11-22(16-21)29-26(32)28-17-23-12-4-5-14-30(23)19-20-8-2-1-3-9-20/h1-3,6-11,13,15-16,23H,4-5,12,14,17-19H2,(H,27,31)(H2,28,29,32).
What are the key properties of 3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 462.62 g/mol, XLogP of 4.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 166381990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).