N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide

C21H25N3O2S — CID 42848173

IUPACN-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
SMILESC=CCNC(=O)c1ccccc1N1CCC(NC(=O)Cc2cccs2)CC1
InChIInChI=1S/C21H25N3O2S/c1-2-11-22-21(26)18-7-3-4-8-19(18)24-12-9-16(10-13-24)23-20(25)15-17-6-5-14-27-17/h2-8,14,16H,1,9-13,15H2,(H,22,26)(H,23,25)
InChIKeyCVZJWOYYNFQLKL-UHFFFAOYSA-N
MW383.52 g/mol
LogP2.99
Rot. Bonds7

About N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide

N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide (PubChem CID 42848173) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
PubChem CID42848173
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
SMILESC=CCNC(=O)c1ccccc1N1CCC(NC(=O)Cc2cccs2)CC1
InChIInChI=1S/C21H25N3O2S/c1-2-11-22-21(26)18-7-3-4-8-19(18)24-12-9-16(10-13-24)23-20(25)15-17-6-5-14-27-17/h2-8,14,16H,1,9-13,15H2,(H,22,26)(H,23,25)
InChIKeyCVZJWOYYNFQLKL-UHFFFAOYSA-N
XLogP2.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 46156025
N-[1-[2-(prop-2-enylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156126
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037750
N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 46038077
N-cyclopropyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038566
N-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 42848391
N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038545
2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037766
N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848440
2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46156249
N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46037540
2-piperazin-1-yl-N-prop-2-enylbenzamide
CID 35752648

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide?
The IUPAC name of N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide (CID 42848173) is N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide.
What is the SMILES notation for N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide?
The canonical SMILES for N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide is C=CCNC(=O)c1ccccc1N1CCC(NC(=O)Cc2cccs2)CC1.
What is the InChIKey of N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide?
The InChIKey is CVZJWOYYNFQLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-2-11-22-21(26)18-7-3-4-8-19(18)24-12-9-16(10-13-24)23-20(25)15-17-6-5-14-27-17/h2-8,14,16H,1,9-13,15H2,(H,22,26)(H,23,25).
What are the key properties of N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide?
N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide has a molecular weight of 383.52 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide is sourced from PubChem (CID 42848173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).