N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide

C25H28N2O3 — CID 71841529

IUPACN-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1ccc(OCC2CCN(C(=O)C=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N2O3/c28-24(13-6-19-4-2-1-3-5-19)27-16-14-20(15-17-27)18-30-23-11-7-21(8-12-23)25(29)26-22-9-10-22/h1-8,11-13,20,22H,9-10,14-18H2,(H,26,29)
InChIKeyUYCLKAZZVUKHPR-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.91
Rot. Bonds7

About N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide

N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide (PubChem CID 71841529) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide
PubChem CID71841529
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1ccc(OCC2CCN(C(=O)C=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N2O3/c28-24(13-6-19-4-2-1-3-5-19)27-16-14-20(15-17-27)18-30-23-11-7-21(8-12-23)25(29)26-22-9-10-22/h1-8,11-13,20,22H,9-10,14-18H2,(H,26,29)
InChIKeyUYCLKAZZVUKHPR-UHFFFAOYSA-N
XLogP3.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl [4-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108559064
N-cyclopropyl-4-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-1-enyl]benzamide
CID 76860309
4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
CID 108561185
N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide
CID 35554708
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide
CID 108559869
N-cyclopropyl-4-[(E)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 39633785
methyl 4-[(E)-3-oxo-3-[3-(phenoxymethyl)piperidin-1-yl]prop-1-enyl]benzoate
CID 86971190
4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 67802753
N-[1-[(E)-3-[4-(methanesulfonamido)phenyl]prop-2-enoyl]piperidin-4-yl]benzamide
CID 30297359
carbonic acid;N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67802755
N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide
CID 34424345

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide (CID 71841529) is N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide is O=C(NC1CC1)c1ccc(OCC2CCN(C(=O)C=Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide?
The InChIKey is UYCLKAZZVUKHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c28-24(13-6-19-4-2-1-3-5-19)27-16-14-20(15-17-27)18-30-23-11-7-21(8-12-23)25(29)26-22-9-10-22/h1-8,11-13,20,22H,9-10,14-18H2,(H,26,29).
What are the key properties of N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide?
N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide has a molecular weight of 404.51 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide is sourced from PubChem (CID 71841529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).