N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide

C19H25N3O4S — CID 89236264

IUPACN-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide
SMILESC=CC(=O)NCC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C19H25N3O4S/c1-2-18(23)20-13-14-9-11-22(12-10-14)27(25,26)17-7-5-16(6-8-17)21-19(24)15-3-4-15/h2,5-8,14-15H,1,3-4,9-13H2,(H,20,23)(H,21,24)
InChIKeyXPYODZMJYJKLTK-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.74
Rot. Bonds7

About N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide

N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide (PubChem CID 89236264) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide
PubChem CID89236264
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide
SMILESC=CC(=O)NCC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C19H25N3O4S/c1-2-18(23)20-13-14-9-11-22(12-10-14)27(25,26)17-7-5-16(6-8-17)21-19(24)15-3-4-15/h2,5-8,14-15H,1,3-4,9-13H2,(H,20,23)(H,21,24)
InChIKeyXPYODZMJYJKLTK-UHFFFAOYSA-N
XLogP1.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 52938413
benzyl N-[[1-[4-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]methyl]carbamate
CID 52939774
methyl 1-[4-(prop-2-enoylamino)phenyl]sulfonylpiperidine-4-carboxylate
CID 67192747
1-(4-methoxyphenyl)sulfonyl-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 100655918
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide
CID 119978186
N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide
CID 89236736
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylbenzamide
CID 89236254
N-[[1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfonylpiperidin-4-yl]methyl]prop-2-enamide
CID 89237097
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67194643
N-[4-[[6-(prop-2-enoylamino)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]phenyl]oxane-4-carboxamide
CID 89237647

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide (CID 89236264) is N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide is C=CC(=O)NCC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)CC1.
What is the InChIKey of N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide?
The InChIKey is XPYODZMJYJKLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-2-18(23)20-13-14-9-11-22(12-10-14)27(25,26)17-7-5-16(6-8-17)21-19(24)15-3-4-15/h2,5-8,14-15H,1,3-4,9-13H2,(H,20,23)(H,21,24).
What are the key properties of N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide?
N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide has a molecular weight of 391.49 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 89236264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).